(2R)-N-cyclopentyl-2-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]propanamide

C17H30N4O2 — CID 95138761

IUPAC(2R)-N-cyclopentyl-2-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]propanamide
SMILESCOc1c(CN[C@H](C)C(=O)NC2CCCC2)c(C(C)C)nn1C
InChIInChI=1S/C17H30N4O2/c1-11(2)15-14(17(23-5)21(4)20-15)10-18-12(3)16(22)19-13-8-6-7-9-13/h11-13,18H,6-10H2,1-5H3,(H,19,22)/t12-/m1/s1
InChIKeyAZSCMNGBKZJJSI-GFCCVEGCSA-N
MW322.45 g/mol
LogP2.09
Rot. Bonds7

About (2R)-N-cyclopentyl-2-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]propanamide

(2R)-N-cyclopentyl-2-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]propanamide (PubChem CID 95138761) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is (2R)-N-cyclopentyl-2-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]propanamide.

Molecular Properties

Compound Name(2R)-N-cyclopentyl-2-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]propanamide
PubChem CID95138761
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC Name(2R)-N-cyclopentyl-2-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]propanamide
SMILESCOc1c(CN[C@H](C)C(=O)NC2CCCC2)c(C(C)C)nn1C
InChIInChI=1S/C17H30N4O2/c1-11(2)15-14(17(23-5)21(4)20-15)10-18-12(3)16(22)19-13-8-6-7-9-13/h11-13,18H,6-10H2,1-5H3,(H,19,22)/t12-/m1/s1
InChIKeyAZSCMNGBKZJJSI-GFCCVEGCSA-N
XLogP2.09
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-N-cyclopentyl-2-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]propanamide with MolForge

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Related Compounds

(2S)-N-cyclopentyl-2-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]propanamide
CID 95140170
(1R)-1-cyclopentyl-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 104860862
N-[2-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]ethyl]cyclopropanecarboxamide;hydrochloride
CID 51104736
2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 115615260
1-[(3R)-1,1-dioxothiolan-3-yl]-N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 94824738
N-cyclohexyl-2-[(2-methoxy-4-pyridinyl)methylamino]propanamide
CID 62990615
N-cyclopentyl-2-(cyclopropylmethylamino)propanamide
CID 43116561
N-cyclopropyl-2-[(2-methyltetrazol-5-yl)methylamino]propanamide
CID 107042658
(2S)-N-cyclopentyl-2-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]propanamide
CID 95750877
(2R)-N-cyclopentyl-2-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]propanamide
CID 98767444
N-cyclopentyl-3-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]propanamide
CID 51105240
N-cyclopentyl-2-[(4-methylphenyl)methylamino]propanamide
CID 43083735

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopentyl-2-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]propanamide?
The IUPAC name of (2R)-N-cyclopentyl-2-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]propanamide (CID 95138761) is (2R)-N-cyclopentyl-2-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]propanamide.
What is the SMILES notation for (2R)-N-cyclopentyl-2-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]propanamide?
The canonical SMILES for (2R)-N-cyclopentyl-2-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]propanamide is COc1c(CN[C@H](C)C(=O)NC2CCCC2)c(C(C)C)nn1C.
What is the InChIKey of (2R)-N-cyclopentyl-2-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]propanamide?
The InChIKey is AZSCMNGBKZJJSI-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-11(2)15-14(17(23-5)21(4)20-15)10-18-12(3)16(22)19-13-8-6-7-9-13/h11-13,18H,6-10H2,1-5H3,(H,19,22)/t12-/m1/s1.
What are the key properties of (2R)-N-cyclopentyl-2-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]propanamide?
(2R)-N-cyclopentyl-2-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]propanamide has a molecular weight of 322.45 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopentyl-2-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]propanamide is sourced from PubChem (CID 95138761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).