(5-cyclohexyl-1H-pyrazol-4-yl)-[(1R,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone

C21H32N4O — CID 72853115

IUPAC(5-cyclohexyl-1H-pyrazol-4-yl)-[(1R,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone
SMILESO=C(c1cn[nH]c1C1CCCCC1)N1C[C@@H]2CC[C@H](C1)N(CC1CC1)C2
InChIInChI=1S/C21H32N4O/c26-21(19-10-22-23-20(19)17-4-2-1-3-5-17)25-13-16-8-9-18(14-25)24(12-16)11-15-6-7-15/h10,15-18H,1-9,11-14H2,(H,22,23)/t16-,18-/m1/s1
InChIKeyHHBGMQJLVOUHJY-SJLPKXTDSA-N
MW356.51 g/mol
LogP3.40
Rot. Bonds4

About (5-cyclohexyl-1H-pyrazol-4-yl)-[(1R,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone

(5-cyclohexyl-1H-pyrazol-4-yl)-[(1R,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone (PubChem CID 72853115) has the molecular formula C21H32N4O and a molecular weight of 356.51 g/mol. Its IUPAC name is (5-cyclohexyl-1H-pyrazol-4-yl)-[(1R,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone.

Molecular Properties

Compound Name(5-cyclohexyl-1H-pyrazol-4-yl)-[(1R,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone
PubChem CID72853115
Molecular FormulaC21H32N4O
Molecular Weight356.51 g/mol
Exact Mass356.26
IUPAC Name(5-cyclohexyl-1H-pyrazol-4-yl)-[(1R,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone
SMILESO=C(c1cn[nH]c1C1CCCCC1)N1C[C@@H]2CC[C@H](C1)N(CC1CC1)C2
InChIInChI=1S/C21H32N4O/c26-21(19-10-22-23-20(19)17-4-2-1-3-5-17)25-13-16-8-9-18(14-25)24(12-16)11-15-6-7-15/h10,15-18H,1-9,11-14H2,(H,22,23)/t16-,18-/m1/s1
InChIKeyHHBGMQJLVOUHJY-SJLPKXTDSA-N
XLogP3.40
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5-cyclohexyl-1H-pyrazol-4-yl)-[(1R,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone with MolForge

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Related Compounds

(2-chlorophenyl)-[(1S,5S)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone
CID 133114270
(3aS,6aS)-5-(5-cyclohexyl-1H-pyrazole-4-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-2-one
CID 146038788
[(1S,5S)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-naphthalen-1-ylmethanone
CID 133109725
[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(5-cyclohexyl-1H-pyrazol-4-yl)methanone
CID 72845696
(5-cyclohexyl-1H-pyrazol-4-yl)-[3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone
CID 72901048
ethyl 4-[1-(5-cyclohexyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]piperazine-1-carboxylate
CID 45170473
(5-cyclohexyl-1H-pyrazol-4-yl)-(1,3-dihydroisoindol-2-yl)methanone
CID 70732469
[(1S,5S)-6-(3-methylbut-2-enyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-(5-propyl-1H-pyrazol-4-yl)methanone
CID 133130816
[(1R,5R)-6-(cyclobutylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-(5-ethyl-1H-pyrazol-3-yl)methanone
CID 70714039
methyl 4-(5-cyclohexyl-1H-pyrazole-4-carbonyl)piperazine-1-carboxylate
CID 70755411
(5-cyclohexyl-1H-pyrazol-4-yl)-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone
CID 118765935
(2-amino-4-phenylpyrimidin-5-yl)-[(1S,5S)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone
CID 133119367

Frequently Asked Questions

What is the IUPAC name of (5-cyclohexyl-1H-pyrazol-4-yl)-[(1R,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone?
The IUPAC name of (5-cyclohexyl-1H-pyrazol-4-yl)-[(1R,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone (CID 72853115) is (5-cyclohexyl-1H-pyrazol-4-yl)-[(1R,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone.
What is the SMILES notation for (5-cyclohexyl-1H-pyrazol-4-yl)-[(1R,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone?
The canonical SMILES for (5-cyclohexyl-1H-pyrazol-4-yl)-[(1R,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone is O=C(c1cn[nH]c1C1CCCCC1)N1C[C@@H]2CC[C@H](C1)N(CC1CC1)C2.
What is the InChIKey of (5-cyclohexyl-1H-pyrazol-4-yl)-[(1R,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone?
The InChIKey is HHBGMQJLVOUHJY-SJLPKXTDSA-N. The full InChI is InChI=1S/C21H32N4O/c26-21(19-10-22-23-20(19)17-4-2-1-3-5-17)25-13-16-8-9-18(14-25)24(12-16)11-15-6-7-15/h10,15-18H,1-9,11-14H2,(H,22,23)/t16-,18-/m1/s1.
What are the key properties of (5-cyclohexyl-1H-pyrazol-4-yl)-[(1R,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone?
(5-cyclohexyl-1H-pyrazol-4-yl)-[(1R,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone has a molecular weight of 356.51 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclohexyl-1H-pyrazol-4-yl)-[(1R,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone is sourced from PubChem (CID 72853115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).