N-[2-(cyclopropylamino)-2-oxoethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide

C11H16N4O2 — CID 43583025

IUPACN-[2-(cyclopropylamino)-2-oxoethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)NCC(=O)NC1CC1
InChIInChI=1S/C11H16N4O2/c1-6-10(7(2)15-14-6)11(17)12-5-9(16)13-8-3-4-8/h8H,3-5H2,1-2H3,(H,12,17)(H,13,16)(H,14,15)
InChIKeyUHYJRALAWRDFHM-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.03
Rot. Bonds4

About N-[2-(cyclopropylamino)-2-oxoethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide

N-[2-(cyclopropylamino)-2-oxoethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide (PubChem CID 43583025) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is N-[2-(cyclopropylamino)-2-oxoethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopropylamino)-2-oxoethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
PubChem CID43583025
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC NameN-[2-(cyclopropylamino)-2-oxoethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)NCC(=O)NC1CC1
InChIInChI=1S/C11H16N4O2/c1-6-10(7(2)15-14-6)11(17)12-5-9(16)13-8-3-4-8/h8H,3-5H2,1-2H3,(H,12,17)(H,13,16)(H,14,15)
InChIKeyUHYJRALAWRDFHM-UHFFFAOYSA-N
XLogP0.03
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethyl-N-[4-(methylamino)cyclohexyl]-1H-pyrazole-4-carboxamide
CID 79110670
3,5-dimethyl-N-(4-methylcyclohexyl)-1H-pyrazole-4-carboxamide
CID 43582706
N-cycloheptyl-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43582836
3,5-dimethyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-1H-pyrazole-4-carboxamide
CID 112690090
3,5-dimethyl-N-propyl-1H-pyrazole-4-carboxamide
CID 43582292
N-(3,5-dimethylcyclohexyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 64722578
methyl 5-[[2-(cyclopropylamino)-2-oxoethyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 17432796
N-[(1,1-dioxothiolan-3-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 54914774
3,5-dimethyl-N-(2-methylcyclopropyl)-1H-pyrazole-4-carboxamide
CID 62408257
N-cycloheptyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 20950838
N-(2,2-diethoxyethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 79547804
3-tert-butyl-N-[2-(cyclopropylamino)-2-oxoethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 110625090

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide (CID 43583025) is N-[2-(cyclopropylamino)-2-oxoethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(cyclopropylamino)-2-oxoethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[2-(cyclopropylamino)-2-oxoethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide is Cc1n[nH]c(C)c1C(=O)NCC(=O)NC1CC1.
What is the InChIKey of N-[2-(cyclopropylamino)-2-oxoethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The InChIKey is UHYJRALAWRDFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-6-10(7(2)15-14-6)11(17)12-5-9(16)13-8-3-4-8/h8H,3-5H2,1-2H3,(H,12,17)(H,13,16)(H,14,15).
What are the key properties of N-[2-(cyclopropylamino)-2-oxoethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide?
N-[2-(cyclopropylamino)-2-oxoethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide has a molecular weight of 236.27 g/mol, XLogP of 0.03, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylamino)-2-oxoethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 43583025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).