1-methyl-5-(piperazin-1-ylmethyl)-N-pyridin-3-ylpyrazole-4-carboxamide

C15H20N6O — CID 83580921

IUPAC1-methyl-5-(piperazin-1-ylmethyl)-N-pyridin-3-ylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)Nc2cccnc2)c1CN1CCNCC1
InChIInChI=1S/C15H20N6O/c1-20-14(11-21-7-5-16-6-8-21)13(10-18-20)15(22)19-12-3-2-4-17-9-12/h2-4,9-10,16H,5-8,11H2,1H3,(H,19,22)
InChIKeyWSRIWTVGICGIMP-UHFFFAOYSA-N
MW300.37 g/mol
LogP0.47
Rot. Bonds4

About 1-methyl-5-(piperazin-1-ylmethyl)-N-pyridin-3-ylpyrazole-4-carboxamide

1-methyl-5-(piperazin-1-ylmethyl)-N-pyridin-3-ylpyrazole-4-carboxamide (PubChem CID 83580921) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is 1-methyl-5-(piperazin-1-ylmethyl)-N-pyridin-3-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-5-(piperazin-1-ylmethyl)-N-pyridin-3-ylpyrazole-4-carboxamide
PubChem CID83580921
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name1-methyl-5-(piperazin-1-ylmethyl)-N-pyridin-3-ylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)Nc2cccnc2)c1CN1CCNCC1
InChIInChI=1S/C15H20N6O/c1-20-14(11-21-7-5-16-6-8-21)13(10-18-20)15(22)19-12-3-2-4-17-9-12/h2-4,9-10,16H,5-8,11H2,1H3,(H,19,22)
InChIKeyWSRIWTVGICGIMP-UHFFFAOYSA-N
XLogP0.47
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 156595313
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CID 65355553
1-oxo-N-pyridin-3-yl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-8-carboxamide
CID 134463470
3-piperazin-1-yl-N-(pyridin-3-ylmethyl)propanamide
CID 28807813
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CID 123428745
1-methyl-N-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 82585468
4-methyl-N-pyridin-3-ylpiperazine-1-carboxamide
CID 3370606
N-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557847
5-methyl-1-phenyl-N-pyridin-3-ylpyrazole-4-carboxamide
CID 17464539
4-[(2-methyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl)methyl]-N-pyridin-3-ylbenzamide
CID 50958785
(3aS,8aR)-1-methyl-N-pyridin-3-yl-2,3,4,5,6,7,8,8a-octahydropyrrolo[2,3-d]azepine-3a-carboxamide
CID 154776384
1-(3-cyanophenyl)-1-(2-piperazin-1-ylethyl)-3-pyridin-3-ylurea
CID 154704372

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(piperazin-1-ylmethyl)-N-pyridin-3-ylpyrazole-4-carboxamide?
The IUPAC name of 1-methyl-5-(piperazin-1-ylmethyl)-N-pyridin-3-ylpyrazole-4-carboxamide (CID 83580921) is 1-methyl-5-(piperazin-1-ylmethyl)-N-pyridin-3-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-5-(piperazin-1-ylmethyl)-N-pyridin-3-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-5-(piperazin-1-ylmethyl)-N-pyridin-3-ylpyrazole-4-carboxamide is Cn1ncc(C(=O)Nc2cccnc2)c1CN1CCNCC1.
What is the InChIKey of 1-methyl-5-(piperazin-1-ylmethyl)-N-pyridin-3-ylpyrazole-4-carboxamide?
The InChIKey is WSRIWTVGICGIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c1-20-14(11-21-7-5-16-6-8-21)13(10-18-20)15(22)19-12-3-2-4-17-9-12/h2-4,9-10,16H,5-8,11H2,1H3,(H,19,22).
What are the key properties of 1-methyl-5-(piperazin-1-ylmethyl)-N-pyridin-3-ylpyrazole-4-carboxamide?
1-methyl-5-(piperazin-1-ylmethyl)-N-pyridin-3-ylpyrazole-4-carboxamide has a molecular weight of 300.37 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(piperazin-1-ylmethyl)-N-pyridin-3-ylpyrazole-4-carboxamide is sourced from PubChem (CID 83580921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).