1-[(1-methylpyrazol-3-yl)methyl]piperazine-2-carbonitrile

C10H15N5 — CID 82868583

IUPAC1-[(1-methylpyrazol-3-yl)methyl]piperazine-2-carbonitrile
SMILESCn1ccc(CN2CCNCC2C#N)n1
InChIInChI=1S/C10H15N5/c1-14-4-2-9(13-14)8-15-5-3-12-7-10(15)6-11/h2,4,10,12H,3,5,7-8H2,1H3
InChIKeyXZBDBYCWSVEKBC-UHFFFAOYSA-N
MW205.26 g/mol
LogP-0.28
Rot. Bonds2

About 1-[(1-methylpyrazol-3-yl)methyl]piperazine-2-carbonitrile

1-[(1-methylpyrazol-3-yl)methyl]piperazine-2-carbonitrile (PubChem CID 82868583) has the molecular formula C10H15N5 and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-[(1-methylpyrazol-3-yl)methyl]piperazine-2-carbonitrile.

Molecular Properties

Compound Name1-[(1-methylpyrazol-3-yl)methyl]piperazine-2-carbonitrile
PubChem CID82868583
Molecular FormulaC10H15N5
Molecular Weight205.26 g/mol
Exact Mass205.13
IUPAC Name1-[(1-methylpyrazol-3-yl)methyl]piperazine-2-carbonitrile
SMILESCn1ccc(CN2CCNCC2C#N)n1
InChIInChI=1S/C10H15N5/c1-14-4-2-9(13-14)8-15-5-3-12-7-10(15)6-11/h2,4,10,12H,3,5,7-8H2,1H3
InChIKeyXZBDBYCWSVEKBC-UHFFFAOYSA-N
XLogP-0.28
TPSA56.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-[(1-methylpyrazol-3-yl)methyl]-2-phenylpiperazine
CID 124660620
1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperazine-2-carbonitrile
CID 79085040
1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazine-2-carbonitrile
CID 79085966
1-(pyrimidin-2-ylmethyl)piperazine-2-carbonitrile
CID 79086103
1-[(4-chlorophenyl)methyl]piperazine-2-carbonitrile
CID 79085643
1-[(1-ethylimidazol-2-yl)methyl]piperazine-2-carbonitrile
CID 79085370
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazine-2-carbonitrile
CID 115332607
1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-2-carbonitrile
CID 79085339
1-[(2-propyl-1,2,4-triazol-3-yl)methyl]piperazine-2-carbonitrile
CID 79085778
1-[2-(2-methylpyrazol-3-yl)ethyl]piperazine-2-carbonitrile
CID 103005283
1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperazine-2-carbonitrile
CID 79085028
1-[(2-chloro-3-pyridinyl)methyl]piperazine-2-carbonitrile
CID 79084941

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpyrazol-3-yl)methyl]piperazine-2-carbonitrile?
The IUPAC name of 1-[(1-methylpyrazol-3-yl)methyl]piperazine-2-carbonitrile (CID 82868583) is 1-[(1-methylpyrazol-3-yl)methyl]piperazine-2-carbonitrile.
What is the SMILES notation for 1-[(1-methylpyrazol-3-yl)methyl]piperazine-2-carbonitrile?
The canonical SMILES for 1-[(1-methylpyrazol-3-yl)methyl]piperazine-2-carbonitrile is Cn1ccc(CN2CCNCC2C#N)n1.
What is the InChIKey of 1-[(1-methylpyrazol-3-yl)methyl]piperazine-2-carbonitrile?
The InChIKey is XZBDBYCWSVEKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5/c1-14-4-2-9(13-14)8-15-5-3-12-7-10(15)6-11/h2,4,10,12H,3,5,7-8H2,1H3.
What are the key properties of 1-[(1-methylpyrazol-3-yl)methyl]piperazine-2-carbonitrile?
1-[(1-methylpyrazol-3-yl)methyl]piperazine-2-carbonitrile has a molecular weight of 205.26 g/mol, XLogP of -0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpyrazol-3-yl)methyl]piperazine-2-carbonitrile is sourced from PubChem (CID 82868583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).