N-[[(1R,2S)-2-hydroxycyclohexyl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide

C14H21N3O2 — CID 128649233

IUPACN-[[(1R,2S)-2-hydroxycyclohexyl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide
SMILESO=C(NC[C@H]1CCCC[C@@H]1O)c1cc2n(n1)CCC2
InChIInChI=1S/C14H21N3O2/c18-13-6-2-1-4-10(13)9-15-14(19)12-8-11-5-3-7-17(11)16-12/h8,10,13,18H,1-7,9H2,(H,15,19)/t10-,13+/m1/s1
InChIKeyIDLDWHZFAALIGY-MFKMUULPSA-N
MW263.34 g/mol
LogP1.11
Rot. Bonds3

About N-[[(1R,2S)-2-hydroxycyclohexyl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide

N-[[(1R,2S)-2-hydroxycyclohexyl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide (PubChem CID 128649233) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[[(1R,2S)-2-hydroxycyclohexyl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide.

Molecular Properties

Compound NameN-[[(1R,2S)-2-hydroxycyclohexyl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide
PubChem CID128649233
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-[[(1R,2S)-2-hydroxycyclohexyl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide
SMILESO=C(NC[C@H]1CCCC[C@@H]1O)c1cc2n(n1)CCC2
InChIInChI=1S/C14H21N3O2/c18-13-6-2-1-4-10(13)9-15-14(19)12-8-11-5-3-7-17(11)16-12/h8,10,13,18H,1-7,9H2,(H,15,19)/t10-,13+/m1/s1
InChIKeyIDLDWHZFAALIGY-MFKMUULPSA-N
XLogP1.11
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[(1R,2S)-2-hydroxycyclohexyl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide with MolForge

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Related Compounds

(3R)-1-[(1-ethyl-3-isobutyl-1H-pyrazol-5-yl)carbonyl]-3-pyrrolidinol
CID 70717897
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N-[(3R*,4R*)-3-hydroxypiperidin-4-yl]-3-isopropyl-1-methyl-1H-pyrazole-5-carboxamide
CID 70760651
trans-4-({[(1-methyl-3-propyl-1H-pyrazol-5-yl)carbonyl]amino}methyl)cyclohexanecarboxylic acid
CID 72839232
N-[4-(difluoromethyl)cyclohexyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide
CID 137995839
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CID 138036902
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5-cyclopropyl-1-methyl-N-[(2S,3S)-1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl]pyrazole-3-carboxamide
CID 138035362
N-{[(3S*,4S*)-3-hydroxypiperidin-4-yl]methyl}-3-isobutyl-1-methyl-1H-pyrazole-5-carboxamide
CID 56883719
N-[(1R*,2R*)-2-hydroxycyclohexyl]-3-isobutyl-1-methyl-N-propyl-1H-pyrazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[[(1R,2S)-2-hydroxycyclohexyl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide?
The IUPAC name of N-[[(1R,2S)-2-hydroxycyclohexyl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide (CID 128649233) is N-[[(1R,2S)-2-hydroxycyclohexyl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide.
What is the SMILES notation for N-[[(1R,2S)-2-hydroxycyclohexyl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide?
The canonical SMILES for N-[[(1R,2S)-2-hydroxycyclohexyl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide is O=C(NC[C@H]1CCCC[C@@H]1O)c1cc2n(n1)CCC2.
What is the InChIKey of N-[[(1R,2S)-2-hydroxycyclohexyl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide?
The InChIKey is IDLDWHZFAALIGY-MFKMUULPSA-N. The full InChI is InChI=1S/C14H21N3O2/c18-13-6-2-1-4-10(13)9-15-14(19)12-8-11-5-3-7-17(11)16-12/h8,10,13,18H,1-7,9H2,(H,15,19)/t10-,13+/m1/s1.
What are the key properties of N-[[(1R,2S)-2-hydroxycyclohexyl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide?
N-[[(1R,2S)-2-hydroxycyclohexyl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,2S)-2-hydroxycyclohexyl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide is sourced from PubChem (CID 128649233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).