4-cyano-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-1H-pyrrole-2-carboxamide

C13H15N5O2 — CID 111696564

IUPAC4-cyano-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-1H-pyrrole-2-carboxamide
SMILESCn1cc(C(C)(O)CNC(=O)c2cc(C#N)c[nH]2)cn1
InChIInChI=1S/C13H15N5O2/c1-13(20,10-6-17-18(2)7-10)8-16-12(19)11-3-9(4-14)5-15-11/h3,5-7,15,20H,8H2,1-2H3,(H,16,19)
InChIKeyREGNHNNCZPMYRM-UHFFFAOYSA-N
MW273.30 g/mol
LogP0.26
Rot. Bonds4

About 4-cyano-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-1H-pyrrole-2-carboxamide

4-cyano-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-1H-pyrrole-2-carboxamide (PubChem CID 111696564) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is 4-cyano-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-cyano-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-1H-pyrrole-2-carboxamide
PubChem CID111696564
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name4-cyano-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-1H-pyrrole-2-carboxamide
SMILESCn1cc(C(C)(O)CNC(=O)c2cc(C#N)c[nH]2)cn1
InChIInChI=1S/C13H15N5O2/c1-13(20,10-6-17-18(2)7-10)8-16-12(19)11-3-9(4-14)5-15-11/h3,5-7,15,20H,8H2,1-2H3,(H,16,19)
InChIKeyREGNHNNCZPMYRM-UHFFFAOYSA-N
XLogP0.26
TPSA106.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide
CID 111458450
1-(3-cyanophenyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea
CID 111457911
3-(4-cyanophenyl)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]propanamide
CID 111458653
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2,2-dimethylpropanamide
CID 111458807
1-[(4-cyano-2-fluorophenyl)methyl]-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea
CID 111459097
3,4-dichloro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide
CID 111458799
5-chloro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-1H-indole-2-carboxamide
CID 111458447
4-bromo-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide
CID 111458599
2,5-dichloro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]thiophene-3-carboxamide
CID 111458654
1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-prop-2-ynylurea
CID 111457956
tert-butyl N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]carbamate
CID 71967740
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 111458582

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-cyano-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-1H-pyrrole-2-carboxamide (CID 111696564) is 4-cyano-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-cyano-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-cyano-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-1H-pyrrole-2-carboxamide is Cn1cc(C(C)(O)CNC(=O)c2cc(C#N)c[nH]2)cn1.
What is the InChIKey of 4-cyano-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-1H-pyrrole-2-carboxamide?
The InChIKey is REGNHNNCZPMYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-13(20,10-6-17-18(2)7-10)8-16-12(19)11-3-9(4-14)5-15-11/h3,5-7,15,20H,8H2,1-2H3,(H,16,19).
What are the key properties of 4-cyano-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-1H-pyrrole-2-carboxamide?
4-cyano-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-1H-pyrrole-2-carboxamide has a molecular weight of 273.30 g/mol, XLogP of 0.26, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 111696564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).