N-[1-(dipentylamino)propan-2-yl]-3-(3-methylpyrazol-1-yl)propanamide

C20H38N4O — CID 19555822

IUPACN-[1-(dipentylamino)propan-2-yl]-3-(3-methylpyrazol-1-yl)propanamide
SMILESCCCCCN(CCCCC)CC(C)NC(=O)CCn1ccc(C)n1
InChIInChI=1S/C20H38N4O/c1-5-7-9-13-23(14-10-8-6-2)17-19(4)21-20(25)12-16-24-15-11-18(3)22-24/h11,15,19H,5-10,12-14,16-17H2,1-4H3,(H,21,25)
InChIKeyVVSAXOVFCOEQIO-UHFFFAOYSA-N
MW350.55 g/mol
LogP3.77
Rot. Bonds14

About N-[1-(dipentylamino)propan-2-yl]-3-(3-methylpyrazol-1-yl)propanamide

N-[1-(dipentylamino)propan-2-yl]-3-(3-methylpyrazol-1-yl)propanamide (PubChem CID 19555822) has the molecular formula C20H38N4O and a molecular weight of 350.55 g/mol. Its IUPAC name is N-[1-(dipentylamino)propan-2-yl]-3-(3-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[1-(dipentylamino)propan-2-yl]-3-(3-methylpyrazol-1-yl)propanamide
PubChem CID19555822
Molecular FormulaC20H38N4O
Molecular Weight350.55 g/mol
Exact Mass350.30
IUPAC NameN-[1-(dipentylamino)propan-2-yl]-3-(3-methylpyrazol-1-yl)propanamide
SMILESCCCCCN(CCCCC)CC(C)NC(=O)CCn1ccc(C)n1
InChIInChI=1S/C20H38N4O/c1-5-7-9-13-23(14-10-8-6-2)17-19(4)21-20(25)12-16-24-15-11-18(3)22-24/h11,15,19H,5-10,12-14,16-17H2,1-4H3,(H,21,25)
InChIKeyVVSAXOVFCOEQIO-UHFFFAOYSA-N
XLogP3.77
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.55
LogP ≤ 53.77
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

N-cyclopentyl-1-ethylpyrazole-3-carboxamide
CID 6464929
N,2,2-Trimethyl-N-[(1-methyl-1H-pyrazol-3-yl)methyl]butanamide
CID 121446735
1-Cyclohexyl-3-[(2-ethylpyrazol-3-yl)methyl]urea
CID 17270110
N-[(2-ethylpyrazol-3-yl)methyl]cyclopropanecarboxamide
CID 19294477
N-(sec-butyl)-3-(3-methyl-1H-pyrazol-1-yl)propanamide
CID 19555821
N-[(2-ethylpyrazol-3-yl)methyl]cyclobutanecarboxamide
CID 35520991
7-N-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5,7-dicarboxamide
CID 118739721
US10030012, Example 28
CID 78318934
N-(2-methylbutan-2-yl)-3-(3-methylpyrazol-1-yl)propanamide
CID 45106808
N-{4-[(Dimethylamino)methyl]-1-methylpyrrolidin-3-YL}-2-(3-methyl-1H-pyrazol-1-YL)acetamide
CID 91923159
(1S,11R)-2-[2-(3-methylpyrazol-1-yl)acetyl]-2,9-diazabicyclo[9.4.0]pentadecan-10-one
CID 110201270
5-(2-Ethylpyrazole-3-carbonyl)-1,5-diazacycloundecan-2-one
CID 110201391

Frequently Asked Questions

What is the IUPAC name of N-[1-(dipentylamino)propan-2-yl]-3-(3-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-[1-(dipentylamino)propan-2-yl]-3-(3-methylpyrazol-1-yl)propanamide (CID 19555822) is N-[1-(dipentylamino)propan-2-yl]-3-(3-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-[1-(dipentylamino)propan-2-yl]-3-(3-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-[1-(dipentylamino)propan-2-yl]-3-(3-methylpyrazol-1-yl)propanamide is CCCCCN(CCCCC)CC(C)NC(=O)CCn1ccc(C)n1.
What is the InChIKey of N-[1-(dipentylamino)propan-2-yl]-3-(3-methylpyrazol-1-yl)propanamide?
The InChIKey is VVSAXOVFCOEQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N4O/c1-5-7-9-13-23(14-10-8-6-2)17-19(4)21-20(25)12-16-24-15-11-18(3)22-24/h11,15,19H,5-10,12-14,16-17H2,1-4H3,(H,21,25).
What are the key properties of N-[1-(dipentylamino)propan-2-yl]-3-(3-methylpyrazol-1-yl)propanamide?
N-[1-(dipentylamino)propan-2-yl]-3-(3-methylpyrazol-1-yl)propanamide has a molecular weight of 350.55 g/mol, XLogP of 3.77, 14 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]-3-(3-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 19555822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).