4-amino-1-methyl-N-[3-(methylamino)propyl]pyrazole-3-carboxamide

C9H17N5O — CID 122445383

IUPAC4-amino-1-methyl-N-[3-(methylamino)propyl]pyrazole-3-carboxamide
SMILESCNCCCNC(=O)c1nn(C)cc1N
InChIInChI=1S/C9H17N5O/c1-11-4-3-5-12-9(15)8-7(10)6-14(2)13-8/h6,11H,3-5,10H2,1-2H3,(H,12,15)
InChIKeyNMYNOYCEOCKMJC-UHFFFAOYSA-N
MW211.27 g/mol
LogP-0.66
Rot. Bonds5

About 4-amino-1-methyl-N-[3-(methylamino)propyl]pyrazole-3-carboxamide

4-amino-1-methyl-N-[3-(methylamino)propyl]pyrazole-3-carboxamide (PubChem CID 122445383) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is 4-amino-1-methyl-N-[3-(methylamino)propyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-methyl-N-[3-(methylamino)propyl]pyrazole-3-carboxamide
PubChem CID122445383
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC Name4-amino-1-methyl-N-[3-(methylamino)propyl]pyrazole-3-carboxamide
SMILESCNCCCNC(=O)c1nn(C)cc1N
InChIInChI=1S/C9H17N5O/c1-11-4-3-5-12-9(15)8-7(10)6-14(2)13-8/h6,11H,3-5,10H2,1-2H3,(H,12,15)
InChIKeyNMYNOYCEOCKMJC-UHFFFAOYSA-N
XLogP-0.66
TPSA84.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methyl-N-[3-(methylamino)propyl]pyrazole-3-carboxamide?
The IUPAC name of 4-amino-1-methyl-N-[3-(methylamino)propyl]pyrazole-3-carboxamide (CID 122445383) is 4-amino-1-methyl-N-[3-(methylamino)propyl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-1-methyl-N-[3-(methylamino)propyl]pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-1-methyl-N-[3-(methylamino)propyl]pyrazole-3-carboxamide is CNCCCNC(=O)c1nn(C)cc1N.
What is the InChIKey of 4-amino-1-methyl-N-[3-(methylamino)propyl]pyrazole-3-carboxamide?
The InChIKey is NMYNOYCEOCKMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O/c1-11-4-3-5-12-9(15)8-7(10)6-14(2)13-8/h6,11H,3-5,10H2,1-2H3,(H,12,15).
What are the key properties of 4-amino-1-methyl-N-[3-(methylamino)propyl]pyrazole-3-carboxamide?
4-amino-1-methyl-N-[3-(methylamino)propyl]pyrazole-3-carboxamide has a molecular weight of 211.27 g/mol, XLogP of -0.66, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methyl-N-[3-(methylamino)propyl]pyrazole-3-carboxamide is sourced from PubChem (CID 122445383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).