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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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).