[6-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone

C16H21N5O2 — CID 3602362

IUPAC[6-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccc(-c3cnn(CCO)c3)nc2)CC1
InChIInChI=1S/C16H21N5O2/c1-19-4-6-20(7-5-19)16(23)13-2-3-15(17-10-13)14-11-18-21(12-14)8-9-22/h2-3,10-12,22H,4-9H2,1H3
InChIKeyKRBUPLBVYUBBAN-UHFFFAOYSA-N
MW315.38 g/mol
LogP0.32
Rot. Bonds4

About [6-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone

[6-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 3602362) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is [6-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[6-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
PubChem CID3602362
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name[6-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccc(-c3cnn(CCO)c3)nc2)CC1
InChIInChI=1S/C16H21N5O2/c1-19-4-6-20(7-5-19)16(23)13-2-3-15(17-10-13)14-11-18-21(12-14)8-9-22/h2-3,10-12,22H,4-9H2,1H3
InChIKeyKRBUPLBVYUBBAN-UHFFFAOYSA-N
XLogP0.32
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[6-[1-(4-methoxyphenyl)pyrazol-4-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 3493764
4-[4-[5-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]pyrazol-1-yl]benzonitrile
CID 3407693
[6-(1-benzylpyrazol-4-yl)-3-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 4161295
N-(furan-2-ylmethyl)-6-[1-(2-hydroxyethyl)pyrazol-4-yl]pyridine-3-carboxamide
CID 3897368
(4-methylpiperazin-1-yl)-pyridazin-4-ylmethanone
CID 112702155
[(3S)-3-(methoxymethyl)piperidin-1-yl]-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methanone
CID 95188150
[6-(dimethylamino)-3-pyridinyl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78859312
(4-methylpiperazin-1-yl)-(1-methylpyrazol-4-yl)methanone
CID 60667533
4-(6-phenylpyridine-3-carbonyl)piperazine-1-carbaldehyde
CID 110683635
(4-methylpiperazin-1-yl)-(6-methyl-3-pyridinyl)methanone;2,2,2-trifluoroacetic acid
CID 71396472
piperidin-1-yl-(6-thiophen-3-yl-3-pyridinyl)methanone
CID 53014233
[6-[1-(1,3-dimethylpyrazole-4-carbonyl)piperidin-4-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 92621736

Frequently Asked Questions

What is the IUPAC name of [6-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [6-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone (CID 3602362) is [6-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [6-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [6-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2ccc(-c3cnn(CCO)c3)nc2)CC1.
What is the InChIKey of [6-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is KRBUPLBVYUBBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-19-4-6-20(7-5-19)16(23)13-2-3-15(17-10-13)14-11-18-21(12-14)8-9-22/h2-3,10-12,22H,4-9H2,1H3.
What are the key properties of [6-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
[6-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 315.38 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 3602362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).