4-amino-N-butyl-N,5-dimethyl-1H-pyrazole-3-carboxamide

C10H18N4O — CID 62081030

IUPAC4-amino-N-butyl-N,5-dimethyl-1H-pyrazole-3-carboxamide
SMILESCCCCN(C)C(=O)c1n[nH]c(C)c1N
InChIInChI=1S/C10H18N4O/c1-4-5-6-14(3)10(15)9-8(11)7(2)12-13-9/h4-6,11H2,1-3H3,(H,12,13)
InChIKeyKYYQMJBDZSMHBR-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.17
Rot. Bonds4

About 4-amino-N-butyl-N,5-dimethyl-1H-pyrazole-3-carboxamide

4-amino-N-butyl-N,5-dimethyl-1H-pyrazole-3-carboxamide (PubChem CID 62081030) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 4-amino-N-butyl-N,5-dimethyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-butyl-N,5-dimethyl-1H-pyrazole-3-carboxamide
PubChem CID62081030
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name4-amino-N-butyl-N,5-dimethyl-1H-pyrazole-3-carboxamide
SMILESCCCCN(C)C(=O)c1n[nH]c(C)c1N
InChIInChI=1S/C10H18N4O/c1-4-5-6-14(3)10(15)9-8(11)7(2)12-13-9/h4-6,11H2,1-3H3,(H,12,13)
InChIKeyKYYQMJBDZSMHBR-UHFFFAOYSA-N
XLogP1.17
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[3-(dimethylamino)propyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide
CID 63693551
4-amino-N-butyl-5-ethyl-N-methyl-1H-pyrazole-3-carboxamide
CID 62081799
4-amino-N-butyl-5-cyclopropyl-N-methyl-1H-pyrazole-3-carboxamide
CID 62075477
4-amino-N-butyl-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
CID 62080719
4-amino-N,5-dimethyl-N-(2-propan-2-yloxyethyl)-1H-pyrazole-3-carboxamide
CID 81053725
4-amino-N-butyl-5-methyl-N-phenyl-1H-pyrazole-3-carboxamide
CID 64586918
4-amino-N-(2-hydroxypropyl)-N,5-dimethyl-1H-pyrazole-3-carboxamide
CID 62333257
4-amino-N-[2-(dimethylamino)-2-oxoethyl]-5-methyl-N-propyl-1H-pyrazole-3-carboxamide
CID 62082662
4-amino-N,5-dimethyl-N-[(2-methylcyclopropyl)methyl]-1H-pyrazole-3-carboxamide
CID 63878192
4-amino-N-[3-(diethylamino)propyl]-N-ethyl-5-methyl-1H-pyrazole-3-carboxamide
CID 102990915
4-amino-N,5-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-3-carboxamide
CID 55034476
4-amino-N-[2-(dimethylamino)ethyl]-N-methyl-5-propyl-1H-pyrazole-3-carboxamide
CID 63694582

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-butyl-N,5-dimethyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-butyl-N,5-dimethyl-1H-pyrazole-3-carboxamide (CID 62081030) is 4-amino-N-butyl-N,5-dimethyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-butyl-N,5-dimethyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-butyl-N,5-dimethyl-1H-pyrazole-3-carboxamide is CCCCN(C)C(=O)c1n[nH]c(C)c1N.
What is the InChIKey of 4-amino-N-butyl-N,5-dimethyl-1H-pyrazole-3-carboxamide?
The InChIKey is KYYQMJBDZSMHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-4-5-6-14(3)10(15)9-8(11)7(2)12-13-9/h4-6,11H2,1-3H3,(H,12,13).
What are the key properties of 4-amino-N-butyl-N,5-dimethyl-1H-pyrazole-3-carboxamide?
4-amino-N-butyl-N,5-dimethyl-1H-pyrazole-3-carboxamide has a molecular weight of 210.28 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-butyl-N,5-dimethyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62081030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).