N-acetyl-N-[4-[3-(5-chlorothiophen-2-yl)-1-propan-2-ylpyrazol-4-yl]-2-pyridinyl]acetamide

C19H19ClN4O2S — CID 67261450

IUPACN-acetyl-N-[4-[3-(5-chlorothiophen-2-yl)-1-propan-2-ylpyrazol-4-yl]-2-pyridinyl]acetamide
SMILESCC(=O)N(C(C)=O)c1cc(-c2cn(C(C)C)nc2-c2ccc(Cl)s2)ccn1
InChIInChI=1S/C19H19ClN4O2S/c1-11(2)23-10-15(19(22-23)16-5-6-17(20)27-16)14-7-8-21-18(9-14)24(12(3)25)13(4)26/h5-11H,1-4H3
InChIKeyMQIWWBDBVRQMIW-UHFFFAOYSA-N
MW402.91 g/mol
LogP4.81
Rot. Bonds4

About N-acetyl-N-[4-[3-(5-chlorothiophen-2-yl)-1-propan-2-ylpyrazol-4-yl]-2-pyridinyl]acetamide

N-acetyl-N-[4-[3-(5-chlorothiophen-2-yl)-1-propan-2-ylpyrazol-4-yl]-2-pyridinyl]acetamide (PubChem CID 67261450) has the molecular formula C19H19ClN4O2S and a molecular weight of 402.91 g/mol. Its IUPAC name is N-acetyl-N-[4-[3-(5-chlorothiophen-2-yl)-1-propan-2-ylpyrazol-4-yl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-acetyl-N-[4-[3-(5-chlorothiophen-2-yl)-1-propan-2-ylpyrazol-4-yl]-2-pyridinyl]acetamide
PubChem CID67261450
Molecular FormulaC19H19ClN4O2S
Molecular Weight402.91 g/mol
Exact Mass402.09
IUPAC NameN-acetyl-N-[4-[3-(5-chlorothiophen-2-yl)-1-propan-2-ylpyrazol-4-yl]-2-pyridinyl]acetamide
SMILESCC(=O)N(C(C)=O)c1cc(-c2cn(C(C)C)nc2-c2ccc(Cl)s2)ccn1
InChIInChI=1S/C19H19ClN4O2S/c1-11(2)23-10-15(19(22-23)16-5-6-17(20)27-16)14-7-8-21-18(9-14)24(12(3)25)13(4)26/h5-11H,1-4H3
InChIKeyMQIWWBDBVRQMIW-UHFFFAOYSA-N
XLogP4.81
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.91
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-[4-[3-(5-chlorothiophen-2-yl)-1-propan-2-ylpyrazol-4-yl]-2-pyridinyl]acetamide?
The IUPAC name of N-acetyl-N-[4-[3-(5-chlorothiophen-2-yl)-1-propan-2-ylpyrazol-4-yl]-2-pyridinyl]acetamide (CID 67261450) is N-acetyl-N-[4-[3-(5-chlorothiophen-2-yl)-1-propan-2-ylpyrazol-4-yl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-acetyl-N-[4-[3-(5-chlorothiophen-2-yl)-1-propan-2-ylpyrazol-4-yl]-2-pyridinyl]acetamide?
The canonical SMILES for N-acetyl-N-[4-[3-(5-chlorothiophen-2-yl)-1-propan-2-ylpyrazol-4-yl]-2-pyridinyl]acetamide is CC(=O)N(C(C)=O)c1cc(-c2cn(C(C)C)nc2-c2ccc(Cl)s2)ccn1.
What is the InChIKey of N-acetyl-N-[4-[3-(5-chlorothiophen-2-yl)-1-propan-2-ylpyrazol-4-yl]-2-pyridinyl]acetamide?
The InChIKey is MQIWWBDBVRQMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O2S/c1-11(2)23-10-15(19(22-23)16-5-6-17(20)27-16)14-7-8-21-18(9-14)24(12(3)25)13(4)26/h5-11H,1-4H3.
What are the key properties of N-acetyl-N-[4-[3-(5-chlorothiophen-2-yl)-1-propan-2-ylpyrazol-4-yl]-2-pyridinyl]acetamide?
N-acetyl-N-[4-[3-(5-chlorothiophen-2-yl)-1-propan-2-ylpyrazol-4-yl]-2-pyridinyl]acetamide has a molecular weight of 402.91 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-[4-[3-(5-chlorothiophen-2-yl)-1-propan-2-ylpyrazol-4-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 67261450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).