4-(2-prop-1-en-2-yl-3H-pyrrol-4-yl)-1H-pyrazole

C10H11N3 — CID 143756671

IUPAC4-(2-prop-1-en-2-yl-3H-pyrrol-4-yl)-1H-pyrazole
SMILESC=C(C)C1=NC=C(c2cn[nH]c2)C1
InChIInChI=1S/C10H11N3/c1-7(2)10-3-8(4-11-10)9-5-12-13-6-9/h4-6H,1,3H2,2H3,(H,12,13)
InChIKeyNOVBTRWUIYKWDL-UHFFFAOYSA-N
MW173.22 g/mol
LogP2.17
Rot. Bonds2

About 4-(2-prop-1-en-2-yl-3H-pyrrol-4-yl)-1H-pyrazole

4-(2-prop-1-en-2-yl-3H-pyrrol-4-yl)-1H-pyrazole (PubChem CID 143756671) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is 4-(2-prop-1-en-2-yl-3H-pyrrol-4-yl)-1H-pyrazole.

Molecular Properties

Compound Name4-(2-prop-1-en-2-yl-3H-pyrrol-4-yl)-1H-pyrazole
PubChem CID143756671
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name4-(2-prop-1-en-2-yl-3H-pyrrol-4-yl)-1H-pyrazole
SMILESC=C(C)C1=NC=C(c2cn[nH]c2)C1
InChIInChI=1S/C10H11N3/c1-7(2)10-3-8(4-11-10)9-5-12-13-6-9/h4-6H,1,3H2,2H3,(H,12,13)
InChIKeyNOVBTRWUIYKWDL-UHFFFAOYSA-N
XLogP2.17
TPSA41.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1H-pyrazol-4-yl)-1H-pyrazole
CID 2422340
N,N-dimethyl-2-prop-1-en-2-yl-5-(1H-pyrazol-4-yl)aniline
CID 123697560
3,4-difluoro-2-methyl-5-(1H-pyrazol-4-yl)phenol
CID 90292645
methanamine;4-phenyl-1H-pyrazole
CID 174608925
methoxy-methyl-(1H-pyrazol-4-yl)borane
CID 123962893
ethane;4-(4-methylpenta-1,3-dien-2-yl)-1H-pyrazole
CID 143862228
1-[3-(1H-pyrazol-4-yl)phenyl]ethanone
CID 121358272
1-[2-(1H-pyrazol-4-yl)-1,3-thiazol-5-yl]ethanamine
CID 130573356
(3E)-4-(1H-pyrazol-4-yl)-8-azabicyclo[5.1.1]non-3-ene
CID 57485687
N-methyl-1-(1H-pyrazol-4-yl)ethenamine
CID 134288911
4-(4-fluorophenyl)-1H-pyrazole
CID 15376482
[2-(1H-pyrazol-4-yl)phenyl]boronic acid
CID 67224191

Frequently Asked Questions

What is the IUPAC name of 4-(2-prop-1-en-2-yl-3H-pyrrol-4-yl)-1H-pyrazole?
The IUPAC name of 4-(2-prop-1-en-2-yl-3H-pyrrol-4-yl)-1H-pyrazole (CID 143756671) is 4-(2-prop-1-en-2-yl-3H-pyrrol-4-yl)-1H-pyrazole.
What is the SMILES notation for 4-(2-prop-1-en-2-yl-3H-pyrrol-4-yl)-1H-pyrazole?
The canonical SMILES for 4-(2-prop-1-en-2-yl-3H-pyrrol-4-yl)-1H-pyrazole is C=C(C)C1=NC=C(c2cn[nH]c2)C1.
What is the InChIKey of 4-(2-prop-1-en-2-yl-3H-pyrrol-4-yl)-1H-pyrazole?
The InChIKey is NOVBTRWUIYKWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3/c1-7(2)10-3-8(4-11-10)9-5-12-13-6-9/h4-6H,1,3H2,2H3,(H,12,13).
What are the key properties of 4-(2-prop-1-en-2-yl-3H-pyrrol-4-yl)-1H-pyrazole?
4-(2-prop-1-en-2-yl-3H-pyrrol-4-yl)-1H-pyrazole has a molecular weight of 173.22 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-prop-1-en-2-yl-3H-pyrrol-4-yl)-1H-pyrazole is sourced from PubChem (CID 143756671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).