1,3-dimethyl-5-[3-(propan-2-ylamino)propoxy]pyrazole-4-carboxamide

C12H22N4O2 — CID 63756508

IUPAC1,3-dimethyl-5-[3-(propan-2-ylamino)propoxy]pyrazole-4-carboxamide
SMILESCc1nn(C)c(OCCCNC(C)C)c1C(N)=O
InChIInChI=1S/C12H22N4O2/c1-8(2)14-6-5-7-18-12-10(11(13)17)9(3)15-16(12)4/h8,14H,5-7H2,1-4H3,(H2,13,17)
InChIKeyPXAWKNUAIHSCKA-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.59
Rot. Bonds7

About 1,3-dimethyl-5-[3-(propan-2-ylamino)propoxy]pyrazole-4-carboxamide

1,3-dimethyl-5-[3-(propan-2-ylamino)propoxy]pyrazole-4-carboxamide (PubChem CID 63756508) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1,3-dimethyl-5-[3-(propan-2-ylamino)propoxy]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-5-[3-(propan-2-ylamino)propoxy]pyrazole-4-carboxamide
PubChem CID63756508
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name1,3-dimethyl-5-[3-(propan-2-ylamino)propoxy]pyrazole-4-carboxamide
SMILESCc1nn(C)c(OCCCNC(C)C)c1C(N)=O
InChIInChI=1S/C12H22N4O2/c1-8(2)14-6-5-7-18-12-10(11(13)17)9(3)15-16(12)4/h8,14H,5-7H2,1-4H3,(H2,13,17)
InChIKeyPXAWKNUAIHSCKA-UHFFFAOYSA-N
XLogP0.59
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1,3-dimethyl-5-[3-(propan-2-ylamino)propoxy]pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Methoxy-1,3-dimethyl-1H-pyrazole-4-carbaldehyde
CID 2764304
1,3-dimethyl-5-(2,2,2-trifluoroethoxy)-1H-pyrazole-4-carbaldehyde
CID 14998085
4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-N-methylbutanamide
CID 51105361
(4-Tert-butylpiperazin-1-yl)-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanone
CID 75370953
1,3-Dimethyl-5-(3,3,3-trifluoropropoxy)pyrazole-4-carbaldehyde
CID 82955498
5-Methoxy-3-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carbaldehyde
CID 139675106
5-Ethoxy-1-methyl-3-(trifluoromethyl)pyrazole-4-carbaldehyde
CID 143491921
3-(Difluoromethyl)-1-ethyl-5-(2,2,2-trifluoroethoxy)pyrazole-4-carbaldehyde
CID 155664173
5-(2,2-Difluoroethoxy)-3-(difluoromethyl)-1-methylpyrazole-4-carbaldehyde
CID 155664177
5-(2,2-Difluoroethoxy)-3-(difluoromethyl)-1-ethylpyrazole-4-carbaldehyde
CID 155664182
3-(Difluoromethyl)-1-methyl-5-(2,2,2-trifluoroethoxy)pyrazole-4-carbaldehyde
CID 155664185
1,3-Dimethyl-5-(2,2,3,3-tetrafluoropropoxy)pyrazole-4-carbaldehyde
CID 15703520

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[3-(propan-2-ylamino)propoxy]pyrazole-4-carboxamide?
The IUPAC name of 1,3-dimethyl-5-[3-(propan-2-ylamino)propoxy]pyrazole-4-carboxamide (CID 63756508) is 1,3-dimethyl-5-[3-(propan-2-ylamino)propoxy]pyrazole-4-carboxamide.
What is the SMILES notation for 1,3-dimethyl-5-[3-(propan-2-ylamino)propoxy]pyrazole-4-carboxamide?
The canonical SMILES for 1,3-dimethyl-5-[3-(propan-2-ylamino)propoxy]pyrazole-4-carboxamide is Cc1nn(C)c(OCCCNC(C)C)c1C(N)=O.
What is the InChIKey of 1,3-dimethyl-5-[3-(propan-2-ylamino)propoxy]pyrazole-4-carboxamide?
The InChIKey is PXAWKNUAIHSCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-8(2)14-6-5-7-18-12-10(11(13)17)9(3)15-16(12)4/h8,14H,5-7H2,1-4H3,(H2,13,17).
What are the key properties of 1,3-dimethyl-5-[3-(propan-2-ylamino)propoxy]pyrazole-4-carboxamide?
1,3-dimethyl-5-[3-(propan-2-ylamino)propoxy]pyrazole-4-carboxamide has a molecular weight of 254.33 g/mol, XLogP of 0.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[3-(propan-2-ylamino)propoxy]pyrazole-4-carboxamide is sourced from PubChem (CID 63756508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).