4-amino-N-(2-methylpropyl)-N-propan-2-yl-5-propyl-1H-pyrazole-3-carboxamide

C14H26N4O — CID 62075785

IUPAC4-amino-N-(2-methylpropyl)-N-propan-2-yl-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1[nH]nc(C(=O)N(CC(C)C)C(C)C)c1N
InChIInChI=1S/C14H26N4O/c1-6-7-11-12(15)13(17-16-11)14(19)18(10(4)5)8-9(2)3/h9-10H,6-8,15H2,1-5H3,(H,16,17)
InChIKeyHGJBRUISASASSL-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.45
Rot. Bonds6

About 4-amino-N-(2-methylpropyl)-N-propan-2-yl-5-propyl-1H-pyrazole-3-carboxamide

4-amino-N-(2-methylpropyl)-N-propan-2-yl-5-propyl-1H-pyrazole-3-carboxamide (PubChem CID 62075785) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 4-amino-N-(2-methylpropyl)-N-propan-2-yl-5-propyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-methylpropyl)-N-propan-2-yl-5-propyl-1H-pyrazole-3-carboxamide
PubChem CID62075785
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name4-amino-N-(2-methylpropyl)-N-propan-2-yl-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1[nH]nc(C(=O)N(CC(C)C)C(C)C)c1N
InChIInChI=1S/C14H26N4O/c1-6-7-11-12(15)13(17-16-11)14(19)18(10(4)5)8-9(2)3/h9-10H,6-8,15H2,1-5H3,(H,16,17)
InChIKeyHGJBRUISASASSL-UHFFFAOYSA-N
XLogP2.45
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-butan-2-yl-N-butyl-5-propyl-1H-pyrazole-3-carboxamide
CID 62075783
4-amino-5-ethyl-N-(2-methylpropyl)-N-pentan-3-yl-1H-pyrazole-3-carboxamide
CID 79483925
4-amino-N,N-diethyl-5-propyl-1H-pyrazole-3-carboxamide
CID 62075271
4-amino-N-(5-methylhexan-2-yl)-5-propyl-1H-pyrazole-3-carboxamide
CID 55034501
4-amino-N-[1-(dimethylamino)-4-methylpentan-2-yl]-5-propyl-1H-pyrazole-3-carboxamide
CID 62077091
4-amino-N-[2-(dimethylamino)ethyl]-N-methyl-5-propyl-1H-pyrazole-3-carboxamide
CID 63694582
4-amino-N-(2,2-difluoroethyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 115405291
4-amino-N-pentyl-N,5-di(propan-2-yl)-1H-pyrazole-3-carboxamide
CID 62076734
4-amino-N-(3,3-dimethylbutan-2-yl)-5-propyl-1H-pyrazole-3-carboxamide
CID 113457627
4-amino-N-(2-methoxyethyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 62075273
4-amino-N-(2-methylsulfanylethyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 63981757
4-amino-N-(3,3-difluoro-2-hydroxypropyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 114092837

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-methylpropyl)-N-propan-2-yl-5-propyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-(2-methylpropyl)-N-propan-2-yl-5-propyl-1H-pyrazole-3-carboxamide (CID 62075785) is 4-amino-N-(2-methylpropyl)-N-propan-2-yl-5-propyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(2-methylpropyl)-N-propan-2-yl-5-propyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(2-methylpropyl)-N-propan-2-yl-5-propyl-1H-pyrazole-3-carboxamide is CCCc1[nH]nc(C(=O)N(CC(C)C)C(C)C)c1N.
What is the InChIKey of 4-amino-N-(2-methylpropyl)-N-propan-2-yl-5-propyl-1H-pyrazole-3-carboxamide?
The InChIKey is HGJBRUISASASSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-6-7-11-12(15)13(17-16-11)14(19)18(10(4)5)8-9(2)3/h9-10H,6-8,15H2,1-5H3,(H,16,17).
What are the key properties of 4-amino-N-(2-methylpropyl)-N-propan-2-yl-5-propyl-1H-pyrazole-3-carboxamide?
4-amino-N-(2-methylpropyl)-N-propan-2-yl-5-propyl-1H-pyrazole-3-carboxamide has a molecular weight of 266.39 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-methylpropyl)-N-propan-2-yl-5-propyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62075785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).