4-amino-N-tert-butyl-5-propyl-1H-pyrazole-3-carboxamide

C11H20N4O — CID 62075103

IUPAC4-amino-N-tert-butyl-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1[nH]nc(C(=O)NC(C)(C)C)c1N
InChIInChI=1S/C11H20N4O/c1-5-6-7-8(12)9(15-14-7)10(16)13-11(2,3)4/h5-6,12H2,1-4H3,(H,13,16)(H,14,15)
InChIKeyKQDLZJHMJBNWQU-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.47
Rot. Bonds3

About 4-amino-N-tert-butyl-5-propyl-1H-pyrazole-3-carboxamide

4-amino-N-tert-butyl-5-propyl-1H-pyrazole-3-carboxamide (PubChem CID 62075103) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 4-amino-N-tert-butyl-5-propyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-tert-butyl-5-propyl-1H-pyrazole-3-carboxamide
PubChem CID62075103
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name4-amino-N-tert-butyl-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1[nH]nc(C(=O)NC(C)(C)C)c1N
InChIInChI=1S/C11H20N4O/c1-5-6-7-8(12)9(15-14-7)10(16)13-11(2,3)4/h5-6,12H2,1-4H3,(H,13,16)(H,14,15)
InChIKeyKQDLZJHMJBNWQU-UHFFFAOYSA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-tert-butyl-5-propyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-tert-butyl-5-propyl-1H-pyrazole-3-carboxamide (CID 62075103) is 4-amino-N-tert-butyl-5-propyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-tert-butyl-5-propyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-tert-butyl-5-propyl-1H-pyrazole-3-carboxamide is CCCc1[nH]nc(C(=O)NC(C)(C)C)c1N.
What is the InChIKey of 4-amino-N-tert-butyl-5-propyl-1H-pyrazole-3-carboxamide?
The InChIKey is KQDLZJHMJBNWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-5-6-7-8(12)9(15-14-7)10(16)13-11(2,3)4/h5-6,12H2,1-4H3,(H,13,16)(H,14,15).
What are the key properties of 4-amino-N-tert-butyl-5-propyl-1H-pyrazole-3-carboxamide?
4-amino-N-tert-butyl-5-propyl-1H-pyrazole-3-carboxamide has a molecular weight of 224.31 g/mol, XLogP of 1.47, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-tert-butyl-5-propyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62075103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).