trans-(1R,2R)-2-[[4-methyl-2-(1-methylpyrazol-4-yl)phenyl]methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol

C21H27N5O — CID 166285873

IUPACtrans-(1R,2R)-2-[[4-methyl-2-(1-methylpyrazol-4-yl)phenyl]methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
SMILESCc1ccc(CN[C@@H]2CC(Cn3cccn3)C[C@H]2O)c(-c2cnn(C)c2)c1
InChIInChI=1S/C21H27N5O/c1-15-4-5-17(19(8-15)18-12-24-25(2)14-18)11-22-20-9-16(10-21(20)27)13-26-7-3-6-23-26/h3-8,12,14,16,20-22,27H,9-11,13H2,1-2H3/t16?,20-,21-/m1/s1
InChIKeyLCJKCGQGDNNZHU-FPDAJAHMSA-N
MW365.48 g/mol
LogP2.52
Rot. Bonds6

About trans-(1R,2R)-2-[[4-methyl-2-(1-methylpyrazol-4-yl)phenyl]methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol

trans-(1R,2R)-2-[[4-methyl-2-(1-methylpyrazol-4-yl)phenyl]methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol (PubChem CID 166285873) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is trans-(1R,2R)-2-[[4-methyl-2-(1-methylpyrazol-4-yl)phenyl]methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[[4-methyl-2-(1-methylpyrazol-4-yl)phenyl]methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
PubChem CID166285873
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC Nametrans-(1R,2R)-2-[[4-methyl-2-(1-methylpyrazol-4-yl)phenyl]methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
SMILESCc1ccc(CN[C@@H]2CC(Cn3cccn3)C[C@H]2O)c(-c2cnn(C)c2)c1
InChIInChI=1S/C21H27N5O/c1-15-4-5-17(19(8-15)18-12-24-25(2)14-18)11-22-20-9-16(10-21(20)27)13-26-7-3-6-23-26/h3-8,12,14,16,20-22,27H,9-11,13H2,1-2H3/t16?,20-,21-/m1/s1
InChIKeyLCJKCGQGDNNZHU-FPDAJAHMSA-N
XLogP2.52
TPSA67.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

trans-(1R,2R)-2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
CID 166285880
trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[[1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-4-yl]methylamino]cyclopentan-1-ol
CID 146112594
trans-(1R,2R)-2-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethylamino)-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
CID 166285957
N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-3-(5-methylindol-1-yl)propanamide
CID 166286061
trans-(1R,2R)-2-[(4-fluoro-1H-indol-2-yl)methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
CID 146153809
trans-(1R,2R)-2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
CID 166285878
trans-(1R,2R)-2-[3-(6-methyl-3-pyridinyl)propylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
CID 146113142
trans-(1R,2R)-2-(3,4-dihydro-1H-isochromen-6-ylmethylamino)-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
CID 146112411
trans-(1R,2R)-2-[(3-chloro-4-methyl-2-pyridinyl)amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
CID 167781265
N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]isoquinoline-3-carboxamide
CID 166286067
6-[[[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]amino]methyl]-4H-1,4-benzoxazin-3-one
CID 146113143
trans-(1R,2R)-2-[(6-methoxy-4-methyl-1H-indol-2-yl)methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
CID 167850465

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[[4-methyl-2-(1-methylpyrazol-4-yl)phenyl]methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[[4-methyl-2-(1-methylpyrazol-4-yl)phenyl]methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol (CID 166285873) is trans-(1R,2R)-2-[[4-methyl-2-(1-methylpyrazol-4-yl)phenyl]methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[[4-methyl-2-(1-methylpyrazol-4-yl)phenyl]methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[[4-methyl-2-(1-methylpyrazol-4-yl)phenyl]methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol is Cc1ccc(CN[C@@H]2CC(Cn3cccn3)C[C@H]2O)c(-c2cnn(C)c2)c1.
What is the InChIKey of trans-(1R,2R)-2-[[4-methyl-2-(1-methylpyrazol-4-yl)phenyl]methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol?
The InChIKey is LCJKCGQGDNNZHU-FPDAJAHMSA-N. The full InChI is InChI=1S/C21H27N5O/c1-15-4-5-17(19(8-15)18-12-24-25(2)14-18)11-22-20-9-16(10-21(20)27)13-26-7-3-6-23-26/h3-8,12,14,16,20-22,27H,9-11,13H2,1-2H3/t16?,20-,21-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[[4-methyl-2-(1-methylpyrazol-4-yl)phenyl]methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol?
trans-(1R,2R)-2-[[4-methyl-2-(1-methylpyrazol-4-yl)phenyl]methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol has a molecular weight of 365.48 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[[4-methyl-2-(1-methylpyrazol-4-yl)phenyl]methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol is sourced from PubChem (CID 166285873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).