(4Z)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4-methoxyimino-N-methylpentanamide

C15H18ClN5O2 — CID 118032671

IUPAC(4Z)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4-methoxyimino-N-methylpentanamide
SMILESCO/N=C(/C)CCC(=O)N(C)c1cn(-c2cccnc2)nc1Cl
InChIInChI=1S/C15H18ClN5O2/c1-11(19-23-3)6-7-14(22)20(2)13-10-21(18-15(13)16)12-5-4-8-17-9-12/h4-5,8-10H,6-7H2,1-3H3/b19-11-
InChIKeySCJXYXVOZXCJOM-ODLFYWEKSA-N
MW335.80 g/mol
LogP2.69
Rot. Bonds6

About (4Z)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4-methoxyimino-N-methylpentanamide

(4Z)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4-methoxyimino-N-methylpentanamide (PubChem CID 118032671) has the molecular formula C15H18ClN5O2 and a molecular weight of 335.80 g/mol. Its IUPAC name is (4Z)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4-methoxyimino-N-methylpentanamide.

Molecular Properties

Compound Name(4Z)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4-methoxyimino-N-methylpentanamide
PubChem CID118032671
Molecular FormulaC15H18ClN5O2
Molecular Weight335.80 g/mol
Exact Mass335.11
IUPAC Name(4Z)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4-methoxyimino-N-methylpentanamide
SMILESCO/N=C(/C)CCC(=O)N(C)c1cn(-c2cccnc2)nc1Cl
InChIInChI=1S/C15H18ClN5O2/c1-11(19-23-3)6-7-14(22)20(2)13-10-21(18-15(13)16)12-5-4-8-17-9-12/h4-5,8-10H,6-7H2,1-3H3/b19-11-
InChIKeySCJXYXVOZXCJOM-ODLFYWEKSA-N
XLogP2.69
TPSA72.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.80
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-4-pyridin-2-ylbutanamide
CID 90359909
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-tritylsulfanylpropanamide
CID 86700562
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-4-(2,2,2-trifluoroethoxyimino)pentanamide
CID 123192126
(4E)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-4-(2,2,2-trifluoroethoxyimino)pentanamide
CID 118032679
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-methylsulfanylbutanamide
CID 69261053
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3-difluorobutylsulfonyl)-N-methylpropanamide
CID 118945717
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-pyridin-4-yl-3-sulfanylpropanamide
CID 123975149
2-amino-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N,2-dimethyl-3-methylsulfanylpropanamide
CID 123808495
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N,2,2-trimethyl-3-methylsulfanylpropanamide
CID 86705839
N'-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-N'-ethyl-N-methylbutanediamide
CID 118022786
tert-butyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(trideuteriomethyl)carbamate
CID 90359856
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-ethoxyimino-N-ethyl-3-sulfanylpropanamide
CID 118021798

Frequently Asked Questions

What is the IUPAC name of (4Z)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4-methoxyimino-N-methylpentanamide?
The IUPAC name of (4Z)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4-methoxyimino-N-methylpentanamide (CID 118032671) is (4Z)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4-methoxyimino-N-methylpentanamide.
What is the SMILES notation for (4Z)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4-methoxyimino-N-methylpentanamide?
The canonical SMILES for (4Z)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4-methoxyimino-N-methylpentanamide is CO/N=C(/C)CCC(=O)N(C)c1cn(-c2cccnc2)nc1Cl.
What is the InChIKey of (4Z)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4-methoxyimino-N-methylpentanamide?
The InChIKey is SCJXYXVOZXCJOM-ODLFYWEKSA-N. The full InChI is InChI=1S/C15H18ClN5O2/c1-11(19-23-3)6-7-14(22)20(2)13-10-21(18-15(13)16)12-5-4-8-17-9-12/h4-5,8-10H,6-7H2,1-3H3/b19-11-.
What are the key properties of (4Z)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4-methoxyimino-N-methylpentanamide?
(4Z)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4-methoxyimino-N-methylpentanamide has a molecular weight of 335.80 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4-methoxyimino-N-methylpentanamide is sourced from PubChem (CID 118032671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).