1-(cyclopropylmethyl)-5-[[4-(2-methylpyrazole-3-carbonyl)piperazin-1-yl]methyl]pyridin-2-one

C19H25N5O2 — CID 53191746

IUPAC1-(cyclopropylmethyl)-5-[[4-(2-methylpyrazole-3-carbonyl)piperazin-1-yl]methyl]pyridin-2-one
SMILESCn1nccc1C(=O)N1CCN(Cc2ccc(=O)n(CC3CC3)c2)CC1
InChIInChI=1S/C19H25N5O2/c1-21-17(6-7-20-21)19(26)23-10-8-22(9-11-23)12-16-4-5-18(25)24(14-16)13-15-2-3-15/h4-7,14-15H,2-3,8-13H2,1H3
InChIKeyHQOUQQCUEPNSLU-UHFFFAOYSA-N
MW355.44 g/mol
LogP0.95
Rot. Bonds5

About 1-(cyclopropylmethyl)-5-[[4-(2-methylpyrazole-3-carbonyl)piperazin-1-yl]methyl]pyridin-2-one

1-(cyclopropylmethyl)-5-[[4-(2-methylpyrazole-3-carbonyl)piperazin-1-yl]methyl]pyridin-2-one (PubChem CID 53191746) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-5-[[4-(2-methylpyrazole-3-carbonyl)piperazin-1-yl]methyl]pyridin-2-one.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-5-[[4-(2-methylpyrazole-3-carbonyl)piperazin-1-yl]methyl]pyridin-2-one
PubChem CID53191746
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name1-(cyclopropylmethyl)-5-[[4-(2-methylpyrazole-3-carbonyl)piperazin-1-yl]methyl]pyridin-2-one
SMILESCn1nccc1C(=O)N1CCN(Cc2ccc(=O)n(CC3CC3)c2)CC1
InChIInChI=1S/C19H25N5O2/c1-21-17(6-7-20-21)19(26)23-10-8-22(9-11-23)12-16-4-5-18(25)24(14-16)13-15-2-3-15/h4-7,14-15H,2-3,8-13H2,1H3
InChIKeyHQOUQQCUEPNSLU-UHFFFAOYSA-N
XLogP0.95
TPSA63.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-5-[[4-(2-methylpyrazole-3-carbonyl)piperazin-1-yl]methyl]pyridin-2-one?
The IUPAC name of 1-(cyclopropylmethyl)-5-[[4-(2-methylpyrazole-3-carbonyl)piperazin-1-yl]methyl]pyridin-2-one (CID 53191746) is 1-(cyclopropylmethyl)-5-[[4-(2-methylpyrazole-3-carbonyl)piperazin-1-yl]methyl]pyridin-2-one.
What is the SMILES notation for 1-(cyclopropylmethyl)-5-[[4-(2-methylpyrazole-3-carbonyl)piperazin-1-yl]methyl]pyridin-2-one?
The canonical SMILES for 1-(cyclopropylmethyl)-5-[[4-(2-methylpyrazole-3-carbonyl)piperazin-1-yl]methyl]pyridin-2-one is Cn1nccc1C(=O)N1CCN(Cc2ccc(=O)n(CC3CC3)c2)CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-5-[[4-(2-methylpyrazole-3-carbonyl)piperazin-1-yl]methyl]pyridin-2-one?
The InChIKey is HQOUQQCUEPNSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-21-17(6-7-20-21)19(26)23-10-8-22(9-11-23)12-16-4-5-18(25)24(14-16)13-15-2-3-15/h4-7,14-15H,2-3,8-13H2,1H3.
What are the key properties of 1-(cyclopropylmethyl)-5-[[4-(2-methylpyrazole-3-carbonyl)piperazin-1-yl]methyl]pyridin-2-one?
1-(cyclopropylmethyl)-5-[[4-(2-methylpyrazole-3-carbonyl)piperazin-1-yl]methyl]pyridin-2-one has a molecular weight of 355.44 g/mol, XLogP of 0.95, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-5-[[4-(2-methylpyrazole-3-carbonyl)piperazin-1-yl]methyl]pyridin-2-one is sourced from PubChem (CID 53191746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).