3-(aminomethyl)-1-[5-(piperazin-1-ylmethyl)-2-pyridinyl]pyrazole-4-carbonitrile

C15H19N7 — CID 166906197

IUPAC3-(aminomethyl)-1-[5-(piperazin-1-ylmethyl)-2-pyridinyl]pyrazole-4-carbonitrile
SMILESN#Cc1cn(-c2ccc(CN3CCNCC3)cn2)nc1CN
InChIInChI=1S/C15H19N7/c16-7-13-11-22(20-14(13)8-17)15-2-1-12(9-19-15)10-21-5-3-18-4-6-21/h1-2,9,11,18H,3-6,8,10,17H2
InChIKeyQFRIJCCUIWQMGV-UHFFFAOYSA-N
MW297.37 g/mol
LogP0.00
Rot. Bonds4

About 3-(aminomethyl)-1-[5-(piperazin-1-ylmethyl)-2-pyridinyl]pyrazole-4-carbonitrile

3-(aminomethyl)-1-[5-(piperazin-1-ylmethyl)-2-pyridinyl]pyrazole-4-carbonitrile (PubChem CID 166906197) has the molecular formula C15H19N7 and a molecular weight of 297.37 g/mol. Its IUPAC name is 3-(aminomethyl)-1-[5-(piperazin-1-ylmethyl)-2-pyridinyl]pyrazole-4-carbonitrile.

Molecular Properties

Compound Name3-(aminomethyl)-1-[5-(piperazin-1-ylmethyl)-2-pyridinyl]pyrazole-4-carbonitrile
PubChem CID166906197
Molecular FormulaC15H19N7
Molecular Weight297.37 g/mol
Exact Mass297.17
IUPAC Name3-(aminomethyl)-1-[5-(piperazin-1-ylmethyl)-2-pyridinyl]pyrazole-4-carbonitrile
SMILESN#Cc1cn(-c2ccc(CN3CCNCC3)cn2)nc1CN
InChIInChI=1S/C15H19N7/c16-7-13-11-22(20-14(13)8-17)15-2-1-12(9-19-15)10-21-5-3-18-4-6-21/h1-2,9,11,18H,3-6,8,10,17H2
InChIKeyQFRIJCCUIWQMGV-UHFFFAOYSA-N
XLogP0.00
TPSA95.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(S)-5-fluoro-2-(1-(5-fluoropyridin-2-yl)ethylamino)-6-(5-methyl-1H-pyrazol-3-ylamino)nicotinonitrile
CID 53232451
2-(Piperazin-1-yl)pyridine-3-carbonitrile
CID 2737203
5-amino-1-(pyridin-2-yl)-1H-pyrazole-4-carbonitrile
CID 12709883
3-Methyl-1-(pyridin-2-yl)-1H-pyrazol-5-amine
CID 735132
3-(1-Pyridin-2-yl-1H-pyrazol-3-yl)-benzonitrile
CID 10236192
2-[[1-Cyclopentyl-5-[1-(Oxetan-3-Yl)piperidin-4-Yl]pyrazol-3-Yl]amino]pyridine-4-Carbonitrile
CID 91936970
Isopropyl-[6-piperazin-1-yl-4-(1H-pyrazol-4-yl)[2,4'']bipyridinyl-2''-yl]amine
CID 46899553
Cyclohexyl-[6-piperazin-1-yl-4-(1H-pyrazol-4-yl)[2,4'']bipyridinyl-2''-yl]amine
CID 46902013
Arylpyrazole, 23
CID 44143423
Arylpyrazole, 24
CID 44143424
N-(5-Piperidin-4-Yl-1-Propan-2-Yl-Pyrazol-3-Yl)-4-(Trifluoromethyl)pyridin-2-Amine
CID 91936969
example 71 [US20090306039]
CID 57999583

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-[5-(piperazin-1-ylmethyl)-2-pyridinyl]pyrazole-4-carbonitrile?
The IUPAC name of 3-(aminomethyl)-1-[5-(piperazin-1-ylmethyl)-2-pyridinyl]pyrazole-4-carbonitrile (CID 166906197) is 3-(aminomethyl)-1-[5-(piperazin-1-ylmethyl)-2-pyridinyl]pyrazole-4-carbonitrile.
What is the SMILES notation for 3-(aminomethyl)-1-[5-(piperazin-1-ylmethyl)-2-pyridinyl]pyrazole-4-carbonitrile?
The canonical SMILES for 3-(aminomethyl)-1-[5-(piperazin-1-ylmethyl)-2-pyridinyl]pyrazole-4-carbonitrile is N#Cc1cn(-c2ccc(CN3CCNCC3)cn2)nc1CN.
What is the InChIKey of 3-(aminomethyl)-1-[5-(piperazin-1-ylmethyl)-2-pyridinyl]pyrazole-4-carbonitrile?
The InChIKey is QFRIJCCUIWQMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7/c16-7-13-11-22(20-14(13)8-17)15-2-1-12(9-19-15)10-21-5-3-18-4-6-21/h1-2,9,11,18H,3-6,8,10,17H2.
What are the key properties of 3-(aminomethyl)-1-[5-(piperazin-1-ylmethyl)-2-pyridinyl]pyrazole-4-carbonitrile?
3-(aminomethyl)-1-[5-(piperazin-1-ylmethyl)-2-pyridinyl]pyrazole-4-carbonitrile has a molecular weight of 297.37 g/mol, XLogP of 0.00, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-[5-(piperazin-1-ylmethyl)-2-pyridinyl]pyrazole-4-carbonitrile is sourced from PubChem (CID 166906197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).