[4-(1-methylpyrazol-4-yl)-1H-pyrrol-2-yl]-piperidin-1-ylmethanone

C14H18N4O — CID 121498462

IUPAC[4-(1-methylpyrazol-4-yl)-1H-pyrrol-2-yl]-piperidin-1-ylmethanone
SMILESCn1cc(-c2c[nH]c(C(=O)N3CCCCC3)c2)cn1
InChIInChI=1S/C14H18N4O/c1-17-10-12(9-16-17)11-7-13(15-8-11)14(19)18-5-3-2-4-6-18/h7-10,15H,2-6H2,1H3
InChIKeyMRZJKWFMLLIBGW-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.04
Rot. Bonds2

About [4-(1-methylpyrazol-4-yl)-1H-pyrrol-2-yl]-piperidin-1-ylmethanone

[4-(1-methylpyrazol-4-yl)-1H-pyrrol-2-yl]-piperidin-1-ylmethanone (PubChem CID 121498462) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is [4-(1-methylpyrazol-4-yl)-1H-pyrrol-2-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[4-(1-methylpyrazol-4-yl)-1H-pyrrol-2-yl]-piperidin-1-ylmethanone
PubChem CID121498462
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name[4-(1-methylpyrazol-4-yl)-1H-pyrrol-2-yl]-piperidin-1-ylmethanone
SMILESCn1cc(-c2c[nH]c(C(=O)N3CCCCC3)c2)cn1
InChIInChI=1S/C14H18N4O/c1-17-10-12(9-16-17)11-7-13(15-8-11)14(19)18-5-3-2-4-6-18/h7-10,15H,2-6H2,1H3
InChIKeyMRZJKWFMLLIBGW-UHFFFAOYSA-N
XLogP2.04
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(azocane-1-carbonyl)-1H-pyrrol-3-yl]ethanone
CID 51073647
cyclopropyl-[3-[4-(1-methylpyrazol-4-yl)-1H-pyrrole-2-carboximidoyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone
CID 167161353
[6-[4-(1-methylpyrazol-4-yl)phenyl]quinolin-4-yl]-piperidin-1-ylmethanone
CID 137490340
[4-(2-amino-5-phenylpyrimidin-4-yl)-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone
CID 22713601
3-(1-methylpyrazol-4-yl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 169417027
[4-(5-chloro-2-methoxyphenyl)-1H-pyrrol-2-yl]-piperidin-1-ylmethanone
CID 119070273
N-[[8-(cyclopropanecarbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[4-(1-methylpyrazol-4-yl)-1H-pyrrol-2-yl]methylidene]methanimidamide
CID 167161472
ethane;1H-imidazol-5-yl(piperidin-1-yl)methanone
CID 142344786
[4-(2-cyclopropyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone
CID 35618751
piperidin-1-yl-(4-pyrrolidin-1-ylsulfonyl-1H-pyrrol-2-yl)methanone
CID 18108104
[4-(4-fluorophenyl)-1H-pyrrol-2-yl]-[(3R)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone
CID 129356808
(1-methylpyrazol-3-yl)-piperidin-1-ylmethanone
CID 19577577

Frequently Asked Questions

What is the IUPAC name of [4-(1-methylpyrazol-4-yl)-1H-pyrrol-2-yl]-piperidin-1-ylmethanone?
The IUPAC name of [4-(1-methylpyrazol-4-yl)-1H-pyrrol-2-yl]-piperidin-1-ylmethanone (CID 121498462) is [4-(1-methylpyrazol-4-yl)-1H-pyrrol-2-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [4-(1-methylpyrazol-4-yl)-1H-pyrrol-2-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [4-(1-methylpyrazol-4-yl)-1H-pyrrol-2-yl]-piperidin-1-ylmethanone is Cn1cc(-c2c[nH]c(C(=O)N3CCCCC3)c2)cn1.
What is the InChIKey of [4-(1-methylpyrazol-4-yl)-1H-pyrrol-2-yl]-piperidin-1-ylmethanone?
The InChIKey is MRZJKWFMLLIBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-17-10-12(9-16-17)11-7-13(15-8-11)14(19)18-5-3-2-4-6-18/h7-10,15H,2-6H2,1H3.
What are the key properties of [4-(1-methylpyrazol-4-yl)-1H-pyrrol-2-yl]-piperidin-1-ylmethanone?
[4-(1-methylpyrazol-4-yl)-1H-pyrrol-2-yl]-piperidin-1-ylmethanone has a molecular weight of 258.32 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-methylpyrazol-4-yl)-1H-pyrrol-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 121498462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).