N-(2-adamantyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide

C17H23N3O — CID 19590906

IUPACN-(2-adamantyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
SMILESO=C(NC1C2CC3CC(C2)CC1C3)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C17H23N3O/c21-17(15-8-14(19-20-15)11-1-2-11)18-16-12-4-9-3-10(6-12)7-13(16)5-9/h8-13,16H,1-7H2,(H,18,21)(H,19,20)
InChIKeyFMVSVIPXURJGQI-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.84
Rot. Bonds3

About N-(2-adamantyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide

N-(2-adamantyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide (PubChem CID 19590906) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-(2-adamantyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-adamantyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
PubChem CID19590906
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-(2-adamantyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
SMILESO=C(NC1C2CC3CC(C2)CC1C3)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C17H23N3O/c21-17(15-8-14(19-20-15)11-1-2-11)18-16-12-4-9-3-10(6-12)7-13(16)5-9/h8-13,16H,1-7H2,(H,18,21)(H,19,20)
InChIKeyFMVSVIPXURJGQI-UHFFFAOYSA-N
XLogP2.84
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 46578014
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CID 166264435
5-cyclopropyl-N-(1-cyclopropylethyl)-1H-pyrazole-3-carboxamide
CID 47158112
5-cyclopropyl-N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-1H-pyrazole-3-carboxamide
CID 99784094
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CID 94179713
5-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrazole-3-carboxamide;hydrochloride
CID 119510443
5-cyclopropyl-N-(1-hydroxypropan-2-yl)-1H-pyrazole-3-carboxamide
CID 146085389
5-cyclopropyl-N-[2-(methylamino)ethyl]-1H-pyrazole-3-carboxamide;hydrochloride
CID 119500515
N-(2-adamantyl)-1,5-dimethylpyrazole-3-carboxamide
CID 19279634
N-(2-adamantyl)-3,5-dimethylbenzamide
CID 923702
1-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(methylamino)ethanone
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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(2-adamantyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide (CID 19590906) is N-(2-adamantyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(2-adamantyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(2-adamantyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide is O=C(NC1C2CC3CC(C2)CC1C3)c1cc(C2CC2)[nH]n1.
What is the InChIKey of N-(2-adamantyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide?
The InChIKey is FMVSVIPXURJGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c21-17(15-8-14(19-20-15)11-1-2-11)18-16-12-4-9-3-10(6-12)7-13(16)5-9/h8-13,16H,1-7H2,(H,18,21)(H,19,20).
What are the key properties of N-(2-adamantyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide?
N-(2-adamantyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide has a molecular weight of 285.39 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 19590906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).