4-amino-N-(1,3,5-trimethylpyrazol-4-yl)cyclohexane-1-carboxamide

C13H22N4O — CID 61254029

IUPAC4-amino-N-(1,3,5-trimethylpyrazol-4-yl)cyclohexane-1-carboxamide
SMILESCc1nn(C)c(C)c1NC(=O)C1CCC(N)CC1
InChIInChI=1S/C13H22N4O/c1-8-12(9(2)17(3)16-8)15-13(18)10-4-6-11(14)7-5-10/h10-11H,4-7,14H2,1-3H3,(H,15,18)
InChIKeyPHQKTCHHWDEZPM-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.49
Rot. Bonds2

About 4-amino-N-(1,3,5-trimethylpyrazol-4-yl)cyclohexane-1-carboxamide

4-amino-N-(1,3,5-trimethylpyrazol-4-yl)cyclohexane-1-carboxamide (PubChem CID 61254029) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-amino-N-(1,3,5-trimethylpyrazol-4-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1,3,5-trimethylpyrazol-4-yl)cyclohexane-1-carboxamide
PubChem CID61254029
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name4-amino-N-(1,3,5-trimethylpyrazol-4-yl)cyclohexane-1-carboxamide
SMILESCc1nn(C)c(C)c1NC(=O)C1CCC(N)CC1
InChIInChI=1S/C13H22N4O/c1-8-12(9(2)17(3)16-8)15-13(18)10-4-6-11(14)7-5-10/h10-11H,4-7,14H2,1-3H3,(H,15,18)
InChIKeyPHQKTCHHWDEZPM-UHFFFAOYSA-N
XLogP1.49
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(1,3,5-trimethylpyrazol-4-yl)cyclohexane-1-carboxamide
CID 55146550
4-tert-butyl-N-(1,3,5-trimethylpyrazol-4-yl)cyclohexane-1-carboxamide
CID 30663515
N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)cyclopropanecarboxamide
CID 61215930
methyl 4-(cyclopentanecarbonylamino)-1,5-dimethylpyrazole-3-carboxylate
CID 75358466
(2R,5S)-5-[(1,3,5-trimethylpyrazol-4-yl)carbamoyl]oxolane-2-carboxylic acid
CID 102944490
2-(3-aminopiperidin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 61295721
6-methyl-1-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]piperidine-3-carboxamide
CID 56825445
4-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114390455
4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)cyclohexane-1-carboxamide
CID 140516048
1-(4,6-dimethylpyrimidin-2-yl)-N-(1,3,5-trimethylpyrazol-4-yl)piperidine-3-carboxamide
CID 71701314
2-(2-methylpiperidin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 51223569
3-N-(1,3,5-trimethylpyrazol-4-yl)cyclopentane-1,3-diamine
CID 79461633

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1,3,5-trimethylpyrazol-4-yl)cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-(1,3,5-trimethylpyrazol-4-yl)cyclohexane-1-carboxamide (CID 61254029) is 4-amino-N-(1,3,5-trimethylpyrazol-4-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-(1,3,5-trimethylpyrazol-4-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-(1,3,5-trimethylpyrazol-4-yl)cyclohexane-1-carboxamide is Cc1nn(C)c(C)c1NC(=O)C1CCC(N)CC1.
What is the InChIKey of 4-amino-N-(1,3,5-trimethylpyrazol-4-yl)cyclohexane-1-carboxamide?
The InChIKey is PHQKTCHHWDEZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-8-12(9(2)17(3)16-8)15-13(18)10-4-6-11(14)7-5-10/h10-11H,4-7,14H2,1-3H3,(H,15,18).
What are the key properties of 4-amino-N-(1,3,5-trimethylpyrazol-4-yl)cyclohexane-1-carboxamide?
4-amino-N-(1,3,5-trimethylpyrazol-4-yl)cyclohexane-1-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1,3,5-trimethylpyrazol-4-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 61254029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).