1-tert-butyl-5-cyclopropyl-N-[(3-hydroxycyclohexyl)methyl]pyrazole-3-carboxamide

C18H29N3O2 — CID 111460279

IUPAC1-tert-butyl-5-cyclopropyl-N-[(3-hydroxycyclohexyl)methyl]pyrazole-3-carboxamide
SMILESCC(C)(C)n1nc(C(=O)NCC2CCCC(O)C2)cc1C1CC1
InChIInChI=1S/C18H29N3O2/c1-18(2,3)21-16(13-7-8-13)10-15(20-21)17(23)19-11-12-5-4-6-14(22)9-12/h10,12-14,22H,4-9,11H2,1-3H3,(H,19,23)
InChIKeyQZNIDAUCFXUPEA-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.80
Rot. Bonds4

About 1-tert-butyl-5-cyclopropyl-N-[(3-hydroxycyclohexyl)methyl]pyrazole-3-carboxamide

1-tert-butyl-5-cyclopropyl-N-[(3-hydroxycyclohexyl)methyl]pyrazole-3-carboxamide (PubChem CID 111460279) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 1-tert-butyl-5-cyclopropyl-N-[(3-hydroxycyclohexyl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-5-cyclopropyl-N-[(3-hydroxycyclohexyl)methyl]pyrazole-3-carboxamide
PubChem CID111460279
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name1-tert-butyl-5-cyclopropyl-N-[(3-hydroxycyclohexyl)methyl]pyrazole-3-carboxamide
SMILESCC(C)(C)n1nc(C(=O)NCC2CCCC(O)C2)cc1C1CC1
InChIInChI=1S/C18H29N3O2/c1-18(2,3)21-16(13-7-8-13)10-15(20-21)17(23)19-11-12-5-4-6-14(22)9-12/h10,12-14,22H,4-9,11H2,1-3H3,(H,19,23)
InChIKeyQZNIDAUCFXUPEA-UHFFFAOYSA-N
XLogP2.80
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide
CID 119600843
1-tert-butyl-5-cyclopropyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyrazole-3-carboxamide
CID 111436087
N-(4-aminocyclohexyl)-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide
CID 119474690
4-tert-butyl-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103691136
methyl 6-[(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)amino]hexanoate
CID 51085909
N-[(3-hydroxycyclohexyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 113241300
N-(2-amino-2-oxoethyl)-1-tert-butyl-N-cyclopentyl-5-cyclopropylpyrazole-3-carboxamide
CID 56817946
5-ethyl-N-[(3-hydroxycyclohexyl)methyl]-1H-pyrazole-3-carboxamide
CID 111459726
N-[(3-hydroxycyclohexyl)methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 103707640
N-(8-azabicyclo[3.2.1]octan-3-yl)-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide
CID 119455407
1-tert-butyl-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-5-cyclopropylpyrazole-3-carboxamide
CID 55842362
4-amino-1-ethyl-N-[(3-hydroxycyclohexyl)methyl]pyrrole-2-carboxamide
CID 106118907

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-cyclopropyl-N-[(3-hydroxycyclohexyl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 1-tert-butyl-5-cyclopropyl-N-[(3-hydroxycyclohexyl)methyl]pyrazole-3-carboxamide (CID 111460279) is 1-tert-butyl-5-cyclopropyl-N-[(3-hydroxycyclohexyl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-tert-butyl-5-cyclopropyl-N-[(3-hydroxycyclohexyl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-tert-butyl-5-cyclopropyl-N-[(3-hydroxycyclohexyl)methyl]pyrazole-3-carboxamide is CC(C)(C)n1nc(C(=O)NCC2CCCC(O)C2)cc1C1CC1.
What is the InChIKey of 1-tert-butyl-5-cyclopropyl-N-[(3-hydroxycyclohexyl)methyl]pyrazole-3-carboxamide?
The InChIKey is QZNIDAUCFXUPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-18(2,3)21-16(13-7-8-13)10-15(20-21)17(23)19-11-12-5-4-6-14(22)9-12/h10,12-14,22H,4-9,11H2,1-3H3,(H,19,23).
What are the key properties of 1-tert-butyl-5-cyclopropyl-N-[(3-hydroxycyclohexyl)methyl]pyrazole-3-carboxamide?
1-tert-butyl-5-cyclopropyl-N-[(3-hydroxycyclohexyl)methyl]pyrazole-3-carboxamide has a molecular weight of 319.45 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-cyclopropyl-N-[(3-hydroxycyclohexyl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 111460279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).