4-amino-N-(2,2-dimethylcyclopropyl)-5-ethyl-1H-pyrazole-3-carboxamide

C11H18N4O — CID 62081497

IUPAC4-amino-N-(2,2-dimethylcyclopropyl)-5-ethyl-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)NC2CC2(C)C)c1N
InChIInChI=1S/C11H18N4O/c1-4-6-8(12)9(15-14-6)10(16)13-7-5-11(7,2)3/h7H,4-5,12H2,1-3H3,(H,13,16)(H,14,15)
InChIKeyNXHGTXWKZGYPSZ-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.08
Rot. Bonds3

About 4-amino-N-(2,2-dimethylcyclopropyl)-5-ethyl-1H-pyrazole-3-carboxamide

4-amino-N-(2,2-dimethylcyclopropyl)-5-ethyl-1H-pyrazole-3-carboxamide (PubChem CID 62081497) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-amino-N-(2,2-dimethylcyclopropyl)-5-ethyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2,2-dimethylcyclopropyl)-5-ethyl-1H-pyrazole-3-carboxamide
PubChem CID62081497
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name4-amino-N-(2,2-dimethylcyclopropyl)-5-ethyl-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)NC2CC2(C)C)c1N
InChIInChI=1S/C11H18N4O/c1-4-6-8(12)9(15-14-6)10(16)13-7-5-11(7,2)3/h7H,4-5,12H2,1-3H3,(H,13,16)(H,14,15)
InChIKeyNXHGTXWKZGYPSZ-UHFFFAOYSA-N
XLogP1.08
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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4-amino-5-ethyl-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrazole-3-carboxamide
CID 106208216
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CID 62082513
4-amino-N-(5-amino-5-oxopentyl)-5-ethyl-1H-pyrazole-3-carboxamide
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CID 62080976
4-amino-5-ethyl-N-(2,4,4-trimethylpentan-2-yl)-1H-pyrazole-3-carboxamide
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4-amino-5-ethyl-N-(oxolan-3-ylmethyl)-1H-pyrazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,2-dimethylcyclopropyl)-5-ethyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-(2,2-dimethylcyclopropyl)-5-ethyl-1H-pyrazole-3-carboxamide (CID 62081497) is 4-amino-N-(2,2-dimethylcyclopropyl)-5-ethyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(2,2-dimethylcyclopropyl)-5-ethyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(2,2-dimethylcyclopropyl)-5-ethyl-1H-pyrazole-3-carboxamide is CCc1[nH]nc(C(=O)NC2CC2(C)C)c1N.
What is the InChIKey of 4-amino-N-(2,2-dimethylcyclopropyl)-5-ethyl-1H-pyrazole-3-carboxamide?
The InChIKey is NXHGTXWKZGYPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-4-6-8(12)9(15-14-6)10(16)13-7-5-11(7,2)3/h7H,4-5,12H2,1-3H3,(H,13,16)(H,14,15).
What are the key properties of 4-amino-N-(2,2-dimethylcyclopropyl)-5-ethyl-1H-pyrazole-3-carboxamide?
4-amino-N-(2,2-dimethylcyclopropyl)-5-ethyl-1H-pyrazole-3-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 1.08, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,2-dimethylcyclopropyl)-5-ethyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62081497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).