N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine

C16H29N5 — CID 64799178

IUPACN-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine
SMILESCN1CCN(C)C(CNCc2ccn(C3CCCC3)n2)C1
InChIInChI=1S/C16H29N5/c1-19-9-10-20(2)16(13-19)12-17-11-14-7-8-21(18-14)15-5-3-4-6-15/h7-8,15-17H,3-6,9-13H2,1-2H3
InChIKeyKLXFGGJPOXGEGP-UHFFFAOYSA-N
MW291.44 g/mol
LogP1.33
Rot. Bonds5

About N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine

N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine (PubChem CID 64799178) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine.

Molecular Properties

Compound NameN-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine
PubChem CID64799178
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC NameN-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine
SMILESCN1CCN(C)C(CNCc2ccn(C3CCCC3)n2)C1
InChIInChI=1S/C16H29N5/c1-19-9-10-20(2)16(13-19)12-17-11-14-7-8-21(18-14)15-5-3-4-6-15/h7-8,15-17H,3-6,9-13H2,1-2H3
InChIKeyKLXFGGJPOXGEGP-UHFFFAOYSA-N
XLogP1.33
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[(1-cyclohexylpyrazol-3-yl)methylamino]methyl]cyclobutan-1-ol
CID 66004626
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(2-methylcyclopentyl)methanamine
CID 107418007
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(4-methylphenyl)methanamine
CID 64801405
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(4-ethylphenyl)methanamine
CID 103816376
1-[[(1-cyclohexylpyrazol-3-yl)methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105416497
1-(1-methylpiperidin-2-yl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]methanamine
CID 64770922
1-(1-cyclohexylpyrazol-3-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 106373039
1-(2-bicyclo[2.2.1]heptanyl)-N-[(1-cyclopentylpyrazol-3-yl)methyl]methanamine
CID 64799167
N-[(1-cyclopentylpyrazol-3-yl)methyl]butan-2-amine
CID 64801770
N-[(4-cyclopropylphenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine
CID 79984609
N-[(1-cyclohexylpyrazol-3-yl)methyl]hexan-1-amine
CID 64799565
N-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrazol-3-yl]methyl]ethanamine
CID 64776990

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine?
The IUPAC name of N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine (CID 64799178) is N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine.
What is the SMILES notation for N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine?
The canonical SMILES for N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine is CN1CCN(C)C(CNCc2ccn(C3CCCC3)n2)C1.
What is the InChIKey of N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine?
The InChIKey is KLXFGGJPOXGEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-19-9-10-20(2)16(13-19)12-17-11-14-7-8-21(18-14)15-5-3-4-6-15/h7-8,15-17H,3-6,9-13H2,1-2H3.
What are the key properties of N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine?
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine has a molecular weight of 291.44 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine is sourced from PubChem (CID 64799178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).