4-amino-N,5-dimethyl-N-[(2-methylcyclopropyl)methyl]-1H-pyrazole-3-carboxamide

C11H18N4O — CID 63878192

IUPAC4-amino-N,5-dimethyl-N-[(2-methylcyclopropyl)methyl]-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)N(C)CC2CC2C)c1N
InChIInChI=1S/C11H18N4O/c1-6-4-8(6)5-15(3)11(16)10-9(12)7(2)13-14-10/h6,8H,4-5,12H2,1-3H3,(H,13,14)
InChIKeyNMSYQBWBRBDNRD-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.03
Rot. Bonds3

About 4-amino-N,5-dimethyl-N-[(2-methylcyclopropyl)methyl]-1H-pyrazole-3-carboxamide

4-amino-N,5-dimethyl-N-[(2-methylcyclopropyl)methyl]-1H-pyrazole-3-carboxamide (PubChem CID 63878192) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-amino-N,5-dimethyl-N-[(2-methylcyclopropyl)methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N,5-dimethyl-N-[(2-methylcyclopropyl)methyl]-1H-pyrazole-3-carboxamide
PubChem CID63878192
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name4-amino-N,5-dimethyl-N-[(2-methylcyclopropyl)methyl]-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)N(C)CC2CC2C)c1N
InChIInChI=1S/C11H18N4O/c1-6-4-8(6)5-15(3)11(16)10-9(12)7(2)13-14-10/h6,8H,4-5,12H2,1-3H3,(H,13,14)
InChIKeyNMSYQBWBRBDNRD-UHFFFAOYSA-N
XLogP1.03
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N,5-dimethyl-N-[(2-methylcyclopropyl)methyl]-1H-pyrazole-4-carboxamide
CID 63858324
4-amino-N-(2-hydroxypropyl)-N,5-dimethyl-1H-pyrazole-3-carboxamide
CID 62333257
4-amino-N,5-dimethyl-N-(oxan-3-ylmethyl)-1H-pyrazole-3-carboxamide
CID 63727250
4-amino-N-butyl-N,5-dimethyl-1H-pyrazole-3-carboxamide
CID 62081030
4-amino-N-[3-(dimethylamino)propyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide
CID 63693551
5-cyclopropyl-N-methyl-N-[(2-methylcyclopropyl)methyl]-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65387338
4-amino-N,5-dimethyl-N-(3-methylcyclohexyl)-1H-pyrazole-3-carboxamide
CID 62080734
3-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]-5-propan-2-yl-1H-pyrazole-4-sulfonyl chloride
CID 65396865
4-amino-N,5-dimethyl-N-(2-propan-2-yloxyethyl)-1H-pyrazole-3-carboxamide
CID 81053725
4-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide
CID 114946954
3-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]-5-propyl-1H-pyrazole-4-sulfonyl chloride
CID 65397057
4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 63688273

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,5-dimethyl-N-[(2-methylcyclopropyl)methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N,5-dimethyl-N-[(2-methylcyclopropyl)methyl]-1H-pyrazole-3-carboxamide (CID 63878192) is 4-amino-N,5-dimethyl-N-[(2-methylcyclopropyl)methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N,5-dimethyl-N-[(2-methylcyclopropyl)methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N,5-dimethyl-N-[(2-methylcyclopropyl)methyl]-1H-pyrazole-3-carboxamide is Cc1[nH]nc(C(=O)N(C)CC2CC2C)c1N.
What is the InChIKey of 4-amino-N,5-dimethyl-N-[(2-methylcyclopropyl)methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is NMSYQBWBRBDNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-6-4-8(6)5-15(3)11(16)10-9(12)7(2)13-14-10/h6,8H,4-5,12H2,1-3H3,(H,13,14).
What are the key properties of 4-amino-N,5-dimethyl-N-[(2-methylcyclopropyl)methyl]-1H-pyrazole-3-carboxamide?
4-amino-N,5-dimethyl-N-[(2-methylcyclopropyl)methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,5-dimethyl-N-[(2-methylcyclopropyl)methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 63878192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).