N'-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-N'-ethyl-N-methylbutanediamide

C19H24ClN5O2 — CID 118022786

IUPACN'-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-N'-ethyl-N-methylbutanediamide
SMILESCCN(C(=O)CCC(=O)N(C)CC1CC1)c1cn(-c2cccnc2)nc1Cl
InChIInChI=1S/C19H24ClN5O2/c1-3-24(18(27)9-8-17(26)23(2)12-14-6-7-14)16-13-25(22-19(16)20)15-5-4-10-21-11-15/h4-5,10-11,13-14H,3,6-9,12H2,1-2H3
InChIKeyIQJZBKLFZGRSOH-UHFFFAOYSA-N
MW389.89 g/mol
LogP2.92
Rot. Bonds8

About N'-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-N'-ethyl-N-methylbutanediamide

N'-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-N'-ethyl-N-methylbutanediamide (PubChem CID 118022786) has the molecular formula C19H24ClN5O2 and a molecular weight of 389.89 g/mol. Its IUPAC name is N'-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-N'-ethyl-N-methylbutanediamide.

Molecular Properties

Compound NameN'-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-N'-ethyl-N-methylbutanediamide
PubChem CID118022786
Molecular FormulaC19H24ClN5O2
Molecular Weight389.89 g/mol
Exact Mass389.16
IUPAC NameN'-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-N'-ethyl-N-methylbutanediamide
SMILESCCN(C(=O)CCC(=O)N(C)CC1CC1)c1cn(-c2cccnc2)nc1Cl
InChIInChI=1S/C19H24ClN5O2/c1-3-24(18(27)9-8-17(26)23(2)12-14-6-7-14)16-13-25(22-19(16)20)15-5-4-10-21-11-15/h4-5,10-11,13-14H,3,6-9,12H2,1-2H3
InChIKeyIQJZBKLFZGRSOH-UHFFFAOYSA-N
XLogP2.92
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.89
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-[cyclopropylmethylsulfonyl(methyl)amino]-N-ethylpropanamide
CID 90307188
4-(azepan-1-yl)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-4-oxobutanamide
CID 118023702
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(1-methyl-2-oxoazetidin-3-yl)propanamide
CID 118023439
[3-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-ethylamino]-3-oxopropyl]-propylcarbamic acid
CID 118023775
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(2-oxopyrrolidin-1-yl)propanamide
CID 118023676
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-[1-(2-cyanoethyl)-2-oxopyrrolidin-3-yl]-N-ethylacetamide
CID 118032699
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
4-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-ethylcarbamoyl]piperidine-1-carboxylic acid
CID 118023582
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-7,7,7-trifluoro-3-oxoheptanamide
CID 118023098
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-[3-(2-cyanoethyl)-2-oxopyrrolidin-1-yl]-N-ethylacetamide
CID 118032698
N-[3-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-ethylamino]-3-oxopropyl]-4,4,4-trifluorobutanamide
CID 118023947

Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-N'-ethyl-N-methylbutanediamide?
The IUPAC name of N'-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-N'-ethyl-N-methylbutanediamide (CID 118022786) is N'-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-N'-ethyl-N-methylbutanediamide.
What is the SMILES notation for N'-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-N'-ethyl-N-methylbutanediamide?
The canonical SMILES for N'-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-N'-ethyl-N-methylbutanediamide is CCN(C(=O)CCC(=O)N(C)CC1CC1)c1cn(-c2cccnc2)nc1Cl.
What is the InChIKey of N'-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-N'-ethyl-N-methylbutanediamide?
The InChIKey is IQJZBKLFZGRSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN5O2/c1-3-24(18(27)9-8-17(26)23(2)12-14-6-7-14)16-13-25(22-19(16)20)15-5-4-10-21-11-15/h4-5,10-11,13-14H,3,6-9,12H2,1-2H3.
What are the key properties of N'-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-N'-ethyl-N-methylbutanediamide?
N'-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-N'-ethyl-N-methylbutanediamide has a molecular weight of 389.89 g/mol, XLogP of 2.92, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-N'-ethyl-N-methylbutanediamide is sourced from PubChem (CID 118022786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).