4-amino-N-[3-(diethylamino)propyl]-5-methyl-1H-pyrazole-3-carboxamide

C12H23N5O — CID 62081384

IUPAC4-amino-N-[3-(diethylamino)propyl]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCCN(CC)CCCNC(=O)c1n[nH]c(C)c1N
InChIInChI=1S/C12H23N5O/c1-4-17(5-2)8-6-7-14-12(18)11-10(13)9(3)15-16-11/h4-8,13H2,1-3H3,(H,14,18)(H,15,16)
InChIKeyNDYJGCABMPVNOS-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.76
Rot. Bonds7

About 4-amino-N-[3-(diethylamino)propyl]-5-methyl-1H-pyrazole-3-carboxamide

4-amino-N-[3-(diethylamino)propyl]-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 62081384) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is 4-amino-N-[3-(diethylamino)propyl]-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[3-(diethylamino)propyl]-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID62081384
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC Name4-amino-N-[3-(diethylamino)propyl]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCCN(CC)CCCNC(=O)c1n[nH]c(C)c1N
InChIInChI=1S/C12H23N5O/c1-4-17(5-2)8-6-7-14-12(18)11-10(13)9(3)15-16-11/h4-8,13H2,1-3H3,(H,14,18)(H,15,16)
InChIKeyNDYJGCABMPVNOS-UHFFFAOYSA-N
XLogP0.76
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[3-(diethylamino)propyl]-5-ethyl-1H-pyrazole-3-carboxamide
CID 55034048
4-amino-N-[3-(diethylamino)propyl]-N-ethyl-5-methyl-1H-pyrazole-3-carboxamide
CID 102990915
4-amino-N-(2-hydroxyethyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 62082092
4-amino-5-methyl-N-(4-methylpentyl)-1H-pyrazole-3-carboxamide
CID 62083375
4-amino-5-methyl-N-(2-methylsulfonylethyl)-1H-pyrazole-3-carboxamide
CID 62082279
3-amino-N-[3-(diethylamino)propyl]-1H-pyrazole-5-carboxamide
CID 64524402
4-amino-N-[3-(dimethylamino)-3-oxopropyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 55034138
N-[4-(diethylamino)butyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 110484320
2-[(4-amino-5-methyl-1H-pyrazole-3-carbonyl)amino]ethyl carbamate
CID 83202712
4-amino-5-methyl-N-(3-phenoxypropyl)-1H-pyrazole-3-carboxamide
CID 62379290
4-amino-N-(4-imidazol-1-ylbutyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 62081438
4-amino-N-[2-(2-methoxyethoxy)ethyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 55034477

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(diethylamino)propyl]-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-[3-(diethylamino)propyl]-5-methyl-1H-pyrazole-3-carboxamide (CID 62081384) is 4-amino-N-[3-(diethylamino)propyl]-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[3-(diethylamino)propyl]-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[3-(diethylamino)propyl]-5-methyl-1H-pyrazole-3-carboxamide is CCN(CC)CCCNC(=O)c1n[nH]c(C)c1N.
What is the InChIKey of 4-amino-N-[3-(diethylamino)propyl]-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is NDYJGCABMPVNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O/c1-4-17(5-2)8-6-7-14-12(18)11-10(13)9(3)15-16-11/h4-8,13H2,1-3H3,(H,14,18)(H,15,16).
What are the key properties of 4-amino-N-[3-(diethylamino)propyl]-5-methyl-1H-pyrazole-3-carboxamide?
4-amino-N-[3-(diethylamino)propyl]-5-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 253.35 g/mol, XLogP of 0.76, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(diethylamino)propyl]-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62081384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).