5-[3-(cyclopropylamino)propylamino]-1,3-dimethylpyrazole-4-carboxamide

C12H21N5O — CID 63757857

IUPAC5-[3-(cyclopropylamino)propylamino]-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(NCCCNC2CC2)c1C(N)=O
InChIInChI=1S/C12H21N5O/c1-8-10(11(13)18)12(17(2)16-8)15-7-3-6-14-9-4-5-9/h9,14-15H,3-7H2,1-2H3,(H2,13,18)
InChIKeyLQBSDRDQPNZSNA-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.38
Rot. Bonds7

About 5-[3-(cyclopropylamino)propylamino]-1,3-dimethylpyrazole-4-carboxamide

5-[3-(cyclopropylamino)propylamino]-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 63757857) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-[3-(cyclopropylamino)propylamino]-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[3-(cyclopropylamino)propylamino]-1,3-dimethylpyrazole-4-carboxamide
PubChem CID63757857
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name5-[3-(cyclopropylamino)propylamino]-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(NCCCNC2CC2)c1C(N)=O
InChIInChI=1S/C12H21N5O/c1-8-10(11(13)18)12(17(2)16-8)15-7-3-6-14-9-4-5-9/h9,14-15H,3-7H2,1-2H3,(H2,13,18)
InChIKeyLQBSDRDQPNZSNA-UHFFFAOYSA-N
XLogP0.38
TPSA84.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.38
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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Related Compounds

7-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]heptanoic acid
CID 63757140
1,3-dimethyl-5-(3-piperazin-1-ylpropylamino)pyrazole-4-carboxamide
CID 63758205
1,3-dimethyl-5-(piperidin-4-ylmethylamino)pyrazole-4-carboxamide
CID 63757516
1,3-dimethyl-5-(piperidin-2-ylmethylamino)pyrazole-4-carboxamide
CID 63757179
3-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]-2,2-dimethylpropanoic acid
CID 113307943
3-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]-2-methylpropanoic acid
CID 63756272
5-(2-aminobutylamino)-1,3-dimethylpyrazole-4-carboxamide
CID 63757522
2-[[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]methyl]butanoic acid
CID 65226774
ethyl 4-[(4-carbamothioyl-1,3-dimethylpyrazol-5-yl)amino]butanoate
CID 64575628
2-[1-[[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]methyl]cyclobutyl]acetic acid
CID 81162044
5-(2-cyclobutylethylamino)-1,3-dimethylpyrazole-4-carbothioamide
CID 113478897
5-[3-(dimethylamino)propylamino]-1,3-dimethylpyrazole-4-carbothioamide
CID 63756859

Frequently Asked Questions

What is the IUPAC name of 5-[3-(cyclopropylamino)propylamino]-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of 5-[3-(cyclopropylamino)propylamino]-1,3-dimethylpyrazole-4-carboxamide (CID 63757857) is 5-[3-(cyclopropylamino)propylamino]-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for 5-[3-(cyclopropylamino)propylamino]-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for 5-[3-(cyclopropylamino)propylamino]-1,3-dimethylpyrazole-4-carboxamide is Cc1nn(C)c(NCCCNC2CC2)c1C(N)=O.
What is the InChIKey of 5-[3-(cyclopropylamino)propylamino]-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is LQBSDRDQPNZSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-8-10(11(13)18)12(17(2)16-8)15-7-3-6-14-9-4-5-9/h9,14-15H,3-7H2,1-2H3,(H2,13,18).
What are the key properties of 5-[3-(cyclopropylamino)propylamino]-1,3-dimethylpyrazole-4-carboxamide?
5-[3-(cyclopropylamino)propylamino]-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 0.38, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(cyclopropylamino)propylamino]-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 63757857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).