N-(4-aminocyclohexyl)-N,1,5-trimethylpyrazole-4-carboxamide

C13H22N4O — CID 79121459

IUPACN-(4-aminocyclohexyl)-N,1,5-trimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)N(C)C2CCC(N)CC2)cnn1C
InChIInChI=1S/C13H22N4O/c1-9-12(8-15-17(9)3)13(18)16(2)11-6-4-10(14)5-7-11/h8,10-11H,4-7,14H2,1-3H3
InChIKeyAVAITSSNDZBVRD-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.07
Rot. Bonds2

About N-(4-aminocyclohexyl)-N,1,5-trimethylpyrazole-4-carboxamide

N-(4-aminocyclohexyl)-N,1,5-trimethylpyrazole-4-carboxamide (PubChem CID 79121459) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-N,1,5-trimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-N,1,5-trimethylpyrazole-4-carboxamide
PubChem CID79121459
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-(4-aminocyclohexyl)-N,1,5-trimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)N(C)C2CCC(N)CC2)cnn1C
InChIInChI=1S/C13H22N4O/c1-9-12(8-15-17(9)3)13(18)16(2)11-6-4-10(14)5-7-11/h8,10-11H,4-7,14H2,1-3H3
InChIKeyAVAITSSNDZBVRD-UHFFFAOYSA-N
XLogP1.07
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,1,5-trimethyl-N-[(1R,2S)-2-methylcyclohexyl]pyrazole-4-carboxamide
CID 94813213
5-amino-N-cyclohexyl-N,1-dimethylpyrazole-4-carboxamide
CID 110485278
N-cyclopropyl-N,1,4-trimethylpyrazole-5-carboxamide
CID 169156131
N-(4-aminocyclohexyl)-3-ethyl-N,1-dimethylpyrazole-4-carboxamide
CID 102809870
N-cyclopropyl-1,5-dimethyl-N-[[(3S)-oxolan-3-yl]methyl]pyrazole-4-carboxamide
CID 94026181
N-cycloheptyl-5-(2,5-dimethylpyrrol-1-yl)-N,1-dimethylpyrazole-4-carboxamide
CID 71886271
4-[(1,5-dimethylpyrazole-4-carbonyl)-methylamino]oxolane-3-carboxylic acid
CID 66237371
N-(4-aminocyclohexyl)-2-fluoro-N,3-dimethylbenzamide
CID 81480735
N-(3-aminopropyl)-N-cyclohexyl-1,5-dimethylpyrazole-4-carboxamide
CID 43319374
N-(cyclopropylmethyl)-1,5-dimethyl-N-prop-2-ynylpyrazole-4-carboxamide
CID 115532694
4-amino-N,1-dimethyl-N-(4-methylcyclohexyl)pyrazole-5-carboxamide
CID 65356129
N-(4-aminocyclohexyl)-N-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 114038609

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-N,1,5-trimethylpyrazole-4-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-N,1,5-trimethylpyrazole-4-carboxamide (CID 79121459) is N-(4-aminocyclohexyl)-N,1,5-trimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-N,1,5-trimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-N,1,5-trimethylpyrazole-4-carboxamide is Cc1c(C(=O)N(C)C2CCC(N)CC2)cnn1C.
What is the InChIKey of N-(4-aminocyclohexyl)-N,1,5-trimethylpyrazole-4-carboxamide?
The InChIKey is AVAITSSNDZBVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-9-12(8-15-17(9)3)13(18)16(2)11-6-4-10(14)5-7-11/h8,10-11H,4-7,14H2,1-3H3.
What are the key properties of N-(4-aminocyclohexyl)-N,1,5-trimethylpyrazole-4-carboxamide?
N-(4-aminocyclohexyl)-N,1,5-trimethylpyrazole-4-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-N,1,5-trimethylpyrazole-4-carboxamide is sourced from PubChem (CID 79121459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).