4-amino-N-[(2,2-dimethylcyclopropyl)methyl]-1-ethylpyrazole-5-carboxamide

C12H20N4O — CID 114107119

IUPAC4-amino-N-[(2,2-dimethylcyclopropyl)methyl]-1-ethylpyrazole-5-carboxamide
SMILESCCn1ncc(N)c1C(=O)NCC1CC1(C)C
InChIInChI=1S/C12H20N4O/c1-4-16-10(9(13)7-15-16)11(17)14-6-8-5-12(8,2)3/h7-8H,4-6,13H2,1-3H3,(H,14,17)
InChIKeyLVRHYFGMSIGYDQ-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.26
Rot. Bonds4

About 4-amino-N-[(2,2-dimethylcyclopropyl)methyl]-1-ethylpyrazole-5-carboxamide

4-amino-N-[(2,2-dimethylcyclopropyl)methyl]-1-ethylpyrazole-5-carboxamide (PubChem CID 114107119) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-amino-N-[(2,2-dimethylcyclopropyl)methyl]-1-ethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(2,2-dimethylcyclopropyl)methyl]-1-ethylpyrazole-5-carboxamide
PubChem CID114107119
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name4-amino-N-[(2,2-dimethylcyclopropyl)methyl]-1-ethylpyrazole-5-carboxamide
SMILESCCn1ncc(N)c1C(=O)NCC1CC1(C)C
InChIInChI=1S/C12H20N4O/c1-4-16-10(9(13)7-15-16)11(17)14-6-8-5-12(8,2)3/h7-8H,4-6,13H2,1-3H3,(H,14,17)
InChIKeyLVRHYFGMSIGYDQ-UHFFFAOYSA-N
XLogP1.26
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-methyl-1H-pyrazole-5-carboxamide
CID 6485342
4-amino-N,1-dimethyl-1H-pyrazole-5-carboxamide
CID 6485370
4-(3-butylureido)-1-ethyl-1H-pyrazole-5-carboxamide
CID 661464
4-amino-N,1-diethyl-1H-pyrazole-5-carboxamide
CID 19620408
4-amino-N,1-dimethyl-1H-pyrazole-3-carboxamide hydrochloride
CID 44630897
4-amino-N-cyclobutyl-1-methyl-1H-pyrazole-3-carboxamide
CID 65354000
N-[1-ethyl-3-(propylcarbamoyl)pyrazol-4-yl]-1,3-dimethylpyrazole-4-carboxamide
CID 19398373
4-amino-1-ethyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrazole-3-carboxamide
CID 19620467
4-amino-N-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-(2-ethylbutyl)pyrazole-3-carboxamide
CID 137637128
N-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-4-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-1-(2-ethylbutyl)pyrazole-3-carboxamide
CID 137648503
4-amino-1-ethyl-1H-pyrazole-3-carboxamide
CID 6485352
4-Amino-2-ethyl-2H-pyrazole-3-carboxylic acid amide
CID 6485417

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2,2-dimethylcyclopropyl)methyl]-1-ethylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-[(2,2-dimethylcyclopropyl)methyl]-1-ethylpyrazole-5-carboxamide (CID 114107119) is 4-amino-N-[(2,2-dimethylcyclopropyl)methyl]-1-ethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[(2,2-dimethylcyclopropyl)methyl]-1-ethylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[(2,2-dimethylcyclopropyl)methyl]-1-ethylpyrazole-5-carboxamide is CCn1ncc(N)c1C(=O)NCC1CC1(C)C.
What is the InChIKey of 4-amino-N-[(2,2-dimethylcyclopropyl)methyl]-1-ethylpyrazole-5-carboxamide?
The InChIKey is LVRHYFGMSIGYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-4-16-10(9(13)7-15-16)11(17)14-6-8-5-12(8,2)3/h7-8H,4-6,13H2,1-3H3,(H,14,17).
What are the key properties of 4-amino-N-[(2,2-dimethylcyclopropyl)methyl]-1-ethylpyrazole-5-carboxamide?
4-amino-N-[(2,2-dimethylcyclopropyl)methyl]-1-ethylpyrazole-5-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2,2-dimethylcyclopropyl)methyl]-1-ethylpyrazole-5-carboxamide is sourced from PubChem (CID 114107119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).