N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-[cyclopropylmethylsulfonyl(methyl)amino]-N-ethylpropanamide

C18H24ClN5O3S — CID 90307188

IUPACN-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-[cyclopropylmethylsulfonyl(methyl)amino]-N-ethylpropanamide
SMILESCCN(C(=O)CCN(C)S(=O)(=O)CC1CC1)c1cn(-c2cccnc2)nc1Cl
InChIInChI=1S/C18H24ClN5O3S/c1-3-23(16-12-24(21-18(16)19)15-5-4-9-20-11-15)17(25)8-10-22(2)28(26,27)13-14-6-7-14/h4-5,9,11-12,14H,3,6-8,10,13H2,1-2H3
InChIKeyHSKUWNGZHITGQF-UHFFFAOYSA-N
MW425.94 g/mol
LogP2.34
Rot. Bonds9

About N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-[cyclopropylmethylsulfonyl(methyl)amino]-N-ethylpropanamide

N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-[cyclopropylmethylsulfonyl(methyl)amino]-N-ethylpropanamide (PubChem CID 90307188) has the molecular formula C18H24ClN5O3S and a molecular weight of 425.94 g/mol. Its IUPAC name is N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-[cyclopropylmethylsulfonyl(methyl)amino]-N-ethylpropanamide.

Molecular Properties

Compound NameN-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-[cyclopropylmethylsulfonyl(methyl)amino]-N-ethylpropanamide
PubChem CID90307188
Molecular FormulaC18H24ClN5O3S
Molecular Weight425.94 g/mol
Exact Mass425.13
IUPAC NameN-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-[cyclopropylmethylsulfonyl(methyl)amino]-N-ethylpropanamide
SMILESCCN(C(=O)CCN(C)S(=O)(=O)CC1CC1)c1cn(-c2cccnc2)nc1Cl
InChIInChI=1S/C18H24ClN5O3S/c1-3-23(16-12-24(21-18(16)19)15-5-4-9-20-11-15)17(25)8-10-22(2)28(26,27)13-14-6-7-14/h4-5,9,11-12,14H,3,6-8,10,13H2,1-2H3
InChIKeyHSKUWNGZHITGQF-UHFFFAOYSA-N
XLogP2.34
TPSA88.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.94
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-[cyclopropylmethylsulfonyl(methyl)amino]-N-ethylpropanamide?
The IUPAC name of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-[cyclopropylmethylsulfonyl(methyl)amino]-N-ethylpropanamide (CID 90307188) is N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-[cyclopropylmethylsulfonyl(methyl)amino]-N-ethylpropanamide.
What is the SMILES notation for N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-[cyclopropylmethylsulfonyl(methyl)amino]-N-ethylpropanamide?
The canonical SMILES for N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-[cyclopropylmethylsulfonyl(methyl)amino]-N-ethylpropanamide is CCN(C(=O)CCN(C)S(=O)(=O)CC1CC1)c1cn(-c2cccnc2)nc1Cl.
What is the InChIKey of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-[cyclopropylmethylsulfonyl(methyl)amino]-N-ethylpropanamide?
The InChIKey is HSKUWNGZHITGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN5O3S/c1-3-23(16-12-24(21-18(16)19)15-5-4-9-20-11-15)17(25)8-10-22(2)28(26,27)13-14-6-7-14/h4-5,9,11-12,14H,3,6-8,10,13H2,1-2H3.
What are the key properties of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-[cyclopropylmethylsulfonyl(methyl)amino]-N-ethylpropanamide?
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-[cyclopropylmethylsulfonyl(methyl)amino]-N-ethylpropanamide has a molecular weight of 425.94 g/mol, XLogP of 2.34, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-[cyclopropylmethylsulfonyl(methyl)amino]-N-ethylpropanamide is sourced from PubChem (CID 90307188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).