N-[1-(dipentylamino)propan-2-yl]-2-ethylpyrazole-3-carboxamide

C19H36N4O — CID 19475353

IUPACN-[1-(dipentylamino)propan-2-yl]-2-ethylpyrazole-3-carboxamide
SMILESCCCCCN(CCCCC)CC(C)NC(=O)c1ccnn1CC
InChIInChI=1S/C19H36N4O/c1-5-8-10-14-22(15-11-9-6-2)16-17(4)21-19(24)18-12-13-20-23(18)7-3/h12-13,17H,5-11,14-16H2,1-4H3,(H,21,24)
InChIKeyVAGHNVRGLQSCTK-UHFFFAOYSA-N
MW336.52 g/mol
LogP3.70
Rot. Bonds13

About N-[1-(dipentylamino)propan-2-yl]-2-ethylpyrazole-3-carboxamide

N-[1-(dipentylamino)propan-2-yl]-2-ethylpyrazole-3-carboxamide (PubChem CID 19475353) has the molecular formula C19H36N4O and a molecular weight of 336.52 g/mol. Its IUPAC name is N-[1-(dipentylamino)propan-2-yl]-2-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(dipentylamino)propan-2-yl]-2-ethylpyrazole-3-carboxamide
PubChem CID19475353
Molecular FormulaC19H36N4O
Molecular Weight336.52 g/mol
Exact Mass336.29
IUPAC NameN-[1-(dipentylamino)propan-2-yl]-2-ethylpyrazole-3-carboxamide
SMILESCCCCCN(CCCCC)CC(C)NC(=O)c1ccnn1CC
InChIInChI=1S/C19H36N4O/c1-5-8-10-14-22(15-11-9-6-2)16-17(4)21-19(24)18-12-13-20-23(18)7-3/h12-13,17H,5-11,14-16H2,1-4H3,(H,21,24)
InChIKeyVAGHNVRGLQSCTK-UHFFFAOYSA-N
XLogP3.70
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.52
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(difluoromethyl)-N-[1-(dipentylamino)propan-2-yl]pyrazole-3-carboxamide
CID 19506830
N-[1-(dipentylamino)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414546
N-[1-(dipentylamino)propan-2-yl]-2-(4-methylpyrazol-1-yl)propanamide
CID 19534421
N-[1-(dipentylamino)propan-2-yl]-2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512121
1-(2-ethylpyrazol-3-yl)nonan-1-one
CID 114972411
1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(dipentylamino)propan-2-yl]pyrazole-3-carboxamide
CID 19270531
N-[1-(dipentylamino)propan-2-yl]-2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19511513
1-[2-[1-(dipentylamino)propan-2-ylamino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19502162
3-(4-bromopyrazol-1-yl)-N-[1-(dipentylamino)propan-2-yl]propanamide
CID 19561748
2-(4-bromopyrazol-1-yl)-N-[1-(dipentylamino)propan-2-yl]butanamide
CID 19551344
2-ethyl-N-(oxiran-2-ylmethyl)pyrazole-3-carboxamide
CID 102548374
2-ethyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]pyrazole-3-carboxamide
CID 51390415

Frequently Asked Questions

What is the IUPAC name of N-[1-(dipentylamino)propan-2-yl]-2-ethylpyrazole-3-carboxamide?
The IUPAC name of N-[1-(dipentylamino)propan-2-yl]-2-ethylpyrazole-3-carboxamide (CID 19475353) is N-[1-(dipentylamino)propan-2-yl]-2-ethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(dipentylamino)propan-2-yl]-2-ethylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-(dipentylamino)propan-2-yl]-2-ethylpyrazole-3-carboxamide is CCCCCN(CCCCC)CC(C)NC(=O)c1ccnn1CC.
What is the InChIKey of N-[1-(dipentylamino)propan-2-yl]-2-ethylpyrazole-3-carboxamide?
The InChIKey is VAGHNVRGLQSCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N4O/c1-5-8-10-14-22(15-11-9-6-2)16-17(4)21-19(24)18-12-13-20-23(18)7-3/h12-13,17H,5-11,14-16H2,1-4H3,(H,21,24).
What are the key properties of N-[1-(dipentylamino)propan-2-yl]-2-ethylpyrazole-3-carboxamide?
N-[1-(dipentylamino)propan-2-yl]-2-ethylpyrazole-3-carboxamide has a molecular weight of 336.52 g/mol, XLogP of 3.70, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dipentylamino)propan-2-yl]-2-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 19475353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).