4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide

C19H19ClN4O2 — CID 135523955

IUPAC4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide
SMILESO=C(NCC1CCCO1)c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1
InChIInChI=1S/C19H19ClN4O2/c20-14-4-1-3-12(7-14)16-11-23-24-18(16)13-8-17(21-9-13)19(25)22-10-15-5-2-6-26-15/h1,3-4,7-9,11,15,21H,2,5-6,10H2,(H,22,25)(H,23,24)
InChIKeyHKKKUFBFJIIVRA-UHFFFAOYSA-N
MW370.84 g/mol
LogP3.63
Rot. Bonds5

About 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide

4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide (PubChem CID 135523955) has the molecular formula C19H19ClN4O2 and a molecular weight of 370.84 g/mol. Its IUPAC name is 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide
PubChem CID135523955
Molecular FormulaC19H19ClN4O2
Molecular Weight370.84 g/mol
Exact Mass370.12
IUPAC Name4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide
SMILESO=C(NCC1CCCO1)c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1
InChIInChI=1S/C19H19ClN4O2/c20-14-4-1-3-12(7-14)16-11-23-24-18(16)13-8-17(21-9-13)19(25)22-10-15-5-2-6-26-15/h1,3-4,7-9,11,15,21H,2,5-6,10H2,(H,22,25)(H,23,24)
InChIKeyHKKKUFBFJIIVRA-UHFFFAOYSA-N
XLogP3.63
TPSA82.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide (CID 135523955) is 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide is O=C(NCC1CCCO1)c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1.
What is the InChIKey of 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide?
The InChIKey is HKKKUFBFJIIVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O2/c20-14-4-1-3-12(7-14)16-11-23-24-18(16)13-8-17(21-9-13)19(25)22-10-15-5-2-6-26-15/h1,3-4,7-9,11,15,21H,2,5-6,10H2,(H,22,25)(H,23,24).
What are the key properties of 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide?
4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide has a molecular weight of 370.84 g/mol, XLogP of 3.63, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 135523955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).