N-[(4-carbamoylcyclohexyl)methyl]-4-chloro-1-methylpyrazole-5-carboxamide

C13H19ClN4O2 — CID 138036126

IUPACN-[(4-carbamoylcyclohexyl)methyl]-4-chloro-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(Cl)c1C(=O)NCC1CCC(C(N)=O)CC1
InChIInChI=1S/C13H19ClN4O2/c1-18-11(10(14)7-17-18)13(20)16-6-8-2-4-9(5-3-8)12(15)19/h7-9H,2-6H2,1H3,(H2,15,19)(H,16,20)
InChIKeyUQLGFGBNHSWHLE-UHFFFAOYSA-N
MW298.77 g/mol
LogP1.10
Rot. Bonds4

About N-[(4-carbamoylcyclohexyl)methyl]-4-chloro-1-methylpyrazole-5-carboxamide

N-[(4-carbamoylcyclohexyl)methyl]-4-chloro-1-methylpyrazole-5-carboxamide (PubChem CID 138036126) has the molecular formula C13H19ClN4O2 and a molecular weight of 298.77 g/mol. Its IUPAC name is N-[(4-carbamoylcyclohexyl)methyl]-4-chloro-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-carbamoylcyclohexyl)methyl]-4-chloro-1-methylpyrazole-5-carboxamide
PubChem CID138036126
Molecular FormulaC13H19ClN4O2
Molecular Weight298.77 g/mol
Exact Mass298.12
IUPAC NameN-[(4-carbamoylcyclohexyl)methyl]-4-chloro-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(Cl)c1C(=O)NCC1CCC(C(N)=O)CC1
InChIInChI=1S/C13H19ClN4O2/c1-18-11(10(14)7-17-18)13(20)16-6-8-2-4-9(5-3-8)12(15)19/h7-9H,2-6H2,1H3,(H2,15,19)(H,16,20)
InChIKeyUQLGFGBNHSWHLE-UHFFFAOYSA-N
XLogP1.10
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N,1-dimethylpyrazole-5-carboxamide
CID 17144538
N-[(2S)-3-(azepan-1-yl)-2-hydroxypropyl]-4-chloro-1-methylpyrazole-5-carboxamide
CID 99935183
(4-chloro-1-methylpyrazol-5-yl)-(4-methylcyclohexyl)methanone
CID 114639668
(4-chloro-1-methylpyrazol-5-yl)-(4-propan-2-ylcyclohexyl)methanone
CID 114640740
N-(cyclopropylmethyl)-2-methyltriazole-4-carboxamide
CID 130608801
(4-tert-butylcyclohexyl)-(4-chloro-1-methylpyrazol-5-yl)methanone
CID 114640751
N-(cyclopropylmethyl)-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 166220823
N-[(4-bromocyclohexyl)methyl]-1,5-dimethylpyrazole-4-carboxamide
CID 114148088
4-chloro-1-methyl-N-[1-(pyrrolidin-1-ylmethyl)cyclohexyl]pyrazole-5-carboxamide
CID 77095105
(4-chloro-1-methylpyrazol-5-yl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone
CID 51390125
(4-chloro-1-methylpyrazol-5-yl)-(3-ethylcyclohexyl)methanone
CID 114640760
4-[(4-chloro-1-ethylpyrazole-5-carbonyl)amino]-1-methylpyrazole-5-carboxamide
CID 4771010

Frequently Asked Questions

What is the IUPAC name of N-[(4-carbamoylcyclohexyl)methyl]-4-chloro-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-[(4-carbamoylcyclohexyl)methyl]-4-chloro-1-methylpyrazole-5-carboxamide (CID 138036126) is N-[(4-carbamoylcyclohexyl)methyl]-4-chloro-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-[(4-carbamoylcyclohexyl)methyl]-4-chloro-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-[(4-carbamoylcyclohexyl)methyl]-4-chloro-1-methylpyrazole-5-carboxamide is Cn1ncc(Cl)c1C(=O)NCC1CCC(C(N)=O)CC1.
What is the InChIKey of N-[(4-carbamoylcyclohexyl)methyl]-4-chloro-1-methylpyrazole-5-carboxamide?
The InChIKey is UQLGFGBNHSWHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O2/c1-18-11(10(14)7-17-18)13(20)16-6-8-2-4-9(5-3-8)12(15)19/h7-9H,2-6H2,1H3,(H2,15,19)(H,16,20).
What are the key properties of N-[(4-carbamoylcyclohexyl)methyl]-4-chloro-1-methylpyrazole-5-carboxamide?
N-[(4-carbamoylcyclohexyl)methyl]-4-chloro-1-methylpyrazole-5-carboxamide has a molecular weight of 298.77 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-carbamoylcyclohexyl)methyl]-4-chloro-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 138036126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).