N-(3-aminopropyl)-2-methyl-N-propylpyrazole-3-carboxamide

C11H20N4O — CID 62921296

IUPACN-(3-aminopropyl)-2-methyl-N-propylpyrazole-3-carboxamide
SMILESCCCN(CCCN)C(=O)c1ccnn1C
InChIInChI=1S/C11H20N4O/c1-3-8-15(9-4-6-12)11(16)10-5-7-13-14(10)2/h5,7H,3-4,6,8-9,12H2,1-2H3
InChIKeyFPBAJXVJCXXCNB-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.62
Rot. Bonds6

About N-(3-aminopropyl)-2-methyl-N-propylpyrazole-3-carboxamide

N-(3-aminopropyl)-2-methyl-N-propylpyrazole-3-carboxamide (PubChem CID 62921296) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-methyl-N-propylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-methyl-N-propylpyrazole-3-carboxamide
PubChem CID62921296
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC NameN-(3-aminopropyl)-2-methyl-N-propylpyrazole-3-carboxamide
SMILESCCCN(CCCN)C(=O)c1ccnn1C
InChIInChI=1S/C11H20N4O/c1-3-8-15(9-4-6-12)11(16)10-5-7-13-14(10)2/h5,7H,3-4,6,8-9,12H2,1-2H3
InChIKeyFPBAJXVJCXXCNB-UHFFFAOYSA-N
XLogP0.62
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-methyl-N-propylpyrazole-3-carboxamide?
The IUPAC name of N-(3-aminopropyl)-2-methyl-N-propylpyrazole-3-carboxamide (CID 62921296) is N-(3-aminopropyl)-2-methyl-N-propylpyrazole-3-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-2-methyl-N-propylpyrazole-3-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-2-methyl-N-propylpyrazole-3-carboxamide is CCCN(CCCN)C(=O)c1ccnn1C.
What is the InChIKey of N-(3-aminopropyl)-2-methyl-N-propylpyrazole-3-carboxamide?
The InChIKey is FPBAJXVJCXXCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-3-8-15(9-4-6-12)11(16)10-5-7-13-14(10)2/h5,7H,3-4,6,8-9,12H2,1-2H3.
What are the key properties of N-(3-aminopropyl)-2-methyl-N-propylpyrazole-3-carboxamide?
N-(3-aminopropyl)-2-methyl-N-propylpyrazole-3-carboxamide has a molecular weight of 224.31 g/mol, XLogP of 0.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-methyl-N-propylpyrazole-3-carboxamide is sourced from PubChem (CID 62921296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).