(4S)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-morpholin-4-ylpentanamide

C17H30N4O2 — CID 124752605

IUPAC(4S)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-morpholin-4-ylpentanamide
SMILESCc1n[nH]c(C)c1CCCNC(=O)CC[C@H](C)N1CCOCC1
InChIInChI=1S/C17H30N4O2/c1-13(21-9-11-23-12-10-21)6-7-17(22)18-8-4-5-16-14(2)19-20-15(16)3/h13H,4-12H2,1-3H3,(H,18,22)(H,19,20)/t13-/m0/s1
InChIKeyJZINOMKOGAGANK-ZDUSSCGKSA-N
MW322.45 g/mol
LogP1.58
Rot. Bonds8

About (4S)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-morpholin-4-ylpentanamide

(4S)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-morpholin-4-ylpentanamide (PubChem CID 124752605) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is (4S)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-morpholin-4-ylpentanamide.

Molecular Properties

Compound Name(4S)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-morpholin-4-ylpentanamide
PubChem CID124752605
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC Name(4S)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-morpholin-4-ylpentanamide
SMILESCc1n[nH]c(C)c1CCCNC(=O)CC[C@H](C)N1CCOCC1
InChIInChI=1S/C17H30N4O2/c1-13(21-9-11-23-12-10-21)6-7-17(22)18-8-4-5-16-14(2)19-20-15(16)3/h13H,4-12H2,1-3H3,(H,18,22)(H,19,20)/t13-/m0/s1
InChIKeyJZINOMKOGAGANK-ZDUSSCGKSA-N
XLogP1.58
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4R)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-4-morpholin-4-ylpentanamide
CID 124752740
N-butyl-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 110685526
N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 91761757
N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-4-(4-methylpiperazin-1-yl)pentanamide
CID 91833958
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-sulfamoylpiperazine-1-carboxamide
CID 119069467
N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-3-pyridin-3-ylpropanamide
CID 91790137
(2R)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-phenylmorpholine-4-carboxamide
CID 126441433
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]propanamide
CID 97435127
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide
CID 86285451
(4R)-4-pyrrolidin-1-yl-N-[3-(1,3-thiazol-2-yl)propyl]pentanamide
CID 126452069
(4R)-4-(4-methylpiperazin-1-yl)-N-[2-(1H-pyrazol-5-yl)ethyl]pentanamide
CID 125441014
4-(methylamino)-N-(2-morpholin-4-ylpropyl)butanamide;dihydrochloride
CID 119849872

Frequently Asked Questions

What is the IUPAC name of (4S)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-morpholin-4-ylpentanamide?
The IUPAC name of (4S)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-morpholin-4-ylpentanamide (CID 124752605) is (4S)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-morpholin-4-ylpentanamide.
What is the SMILES notation for (4S)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-morpholin-4-ylpentanamide?
The canonical SMILES for (4S)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-morpholin-4-ylpentanamide is Cc1n[nH]c(C)c1CCCNC(=O)CC[C@H](C)N1CCOCC1.
What is the InChIKey of (4S)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-morpholin-4-ylpentanamide?
The InChIKey is JZINOMKOGAGANK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-13(21-9-11-23-12-10-21)6-7-17(22)18-8-4-5-16-14(2)19-20-15(16)3/h13H,4-12H2,1-3H3,(H,18,22)(H,19,20)/t13-/m0/s1.
What are the key properties of (4S)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-morpholin-4-ylpentanamide?
(4S)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-morpholin-4-ylpentanamide has a molecular weight of 322.45 g/mol, XLogP of 1.58, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-morpholin-4-ylpentanamide is sourced from PubChem (CID 124752605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).