N-(2-aminopropyl)-5-tert-butyl-1H-pyrazole-3-carboxamide

C11H20N4O — CID 110833128

IUPACN-(2-aminopropyl)-5-tert-butyl-1H-pyrazole-3-carboxamide
SMILESCC(N)CNC(=O)c1cc(C(C)(C)C)[nH]n1
InChIInChI=1S/C11H20N4O/c1-7(12)6-13-10(16)8-5-9(15-14-8)11(2,3)4/h5,7H,6,12H2,1-4H3,(H,13,16)(H,14,15)
InChIKeySMQGPUKFOADBGS-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.78
Rot. Bonds3

About N-(2-aminopropyl)-5-tert-butyl-1H-pyrazole-3-carboxamide

N-(2-aminopropyl)-5-tert-butyl-1H-pyrazole-3-carboxamide (PubChem CID 110833128) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is N-(2-aminopropyl)-5-tert-butyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminopropyl)-5-tert-butyl-1H-pyrazole-3-carboxamide
PubChem CID110833128
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC NameN-(2-aminopropyl)-5-tert-butyl-1H-pyrazole-3-carboxamide
SMILESCC(N)CNC(=O)c1cc(C(C)(C)C)[nH]n1
InChIInChI=1S/C11H20N4O/c1-7(12)6-13-10(16)8-5-9(15-14-8)11(2,3)4/h5,7H,6,12H2,1-4H3,(H,13,16)(H,14,15)
InChIKeySMQGPUKFOADBGS-UHFFFAOYSA-N
XLogP0.78
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-tert-butyl-1H-pyrazole-3-carbonyl)amino]acetic acid
CID 110835219
5-tert-butyl-N-prop-2-enyl-1H-pyrazole-3-carboxamide
CID 110848079
5-tert-butyl-N-[[2-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide
CID 71981631
(2S)-2-[(5-tert-butyl-1H-pyrazole-3-carbonyl)amino]-3-methylbutanoic acid
CID 110835220
N-(1-aminopropan-2-yl)-5-tert-butyl-N-methyl-1H-pyrazole-3-carboxamide
CID 119584562
N-(2-aminopropyl)-5-(iodomethyl)-1,2-oxazole-3-carboxamide
CID 135137381
5-tert-butyl-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide
CID 110852012
N-(3-amino-4-methylpentyl)-5-tert-butyl-N-methyl-1H-pyrazole-3-carboxamide;hydrochloride
CID 119660642
5-tert-butyl-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1H-pyrazole-3-carboxamide
CID 78879162
5-tert-butyl-N-(3-piperazin-1-ylpropyl)-1H-pyrazole-3-carboxamide
CID 119393895
3-[(5-tert-butyl-1H-pyrazole-3-carbonyl)-(2-methylpropyl)amino]propanoic acid
CID 119190641
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide;hydrochloride
CID 119525872

Frequently Asked Questions

What is the IUPAC name of N-(2-aminopropyl)-5-tert-butyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(2-aminopropyl)-5-tert-butyl-1H-pyrazole-3-carboxamide (CID 110833128) is N-(2-aminopropyl)-5-tert-butyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(2-aminopropyl)-5-tert-butyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(2-aminopropyl)-5-tert-butyl-1H-pyrazole-3-carboxamide is CC(N)CNC(=O)c1cc(C(C)(C)C)[nH]n1.
What is the InChIKey of N-(2-aminopropyl)-5-tert-butyl-1H-pyrazole-3-carboxamide?
The InChIKey is SMQGPUKFOADBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-7(12)6-13-10(16)8-5-9(15-14-8)11(2,3)4/h5,7H,6,12H2,1-4H3,(H,13,16)(H,14,15).
What are the key properties of N-(2-aminopropyl)-5-tert-butyl-1H-pyrazole-3-carboxamide?
N-(2-aminopropyl)-5-tert-butyl-1H-pyrazole-3-carboxamide has a molecular weight of 224.31 g/mol, XLogP of 0.78, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminopropyl)-5-tert-butyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 110833128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).