1-[1-[(1-cyclopentylpyrazol-3-yl)methyl]imidazol-4-yl]butan-2-amine

C16H25N5 — CID 106721334

IUPAC1-[1-[(1-cyclopentylpyrazol-3-yl)methyl]imidazol-4-yl]butan-2-amine
SMILESCCC(N)Cc1cn(Cc2ccn(C3CCCC3)n2)cn1
InChIInChI=1S/C16H25N5/c1-2-13(17)9-15-11-20(12-18-15)10-14-7-8-21(19-14)16-5-3-4-6-16/h7-8,11-13,16H,2-6,9-10,17H2,1H3
InChIKeySMIFLSAUKBMPNX-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.52
Rot. Bonds6

About 1-[1-[(1-cyclopentylpyrazol-3-yl)methyl]imidazol-4-yl]butan-2-amine

1-[1-[(1-cyclopentylpyrazol-3-yl)methyl]imidazol-4-yl]butan-2-amine (PubChem CID 106721334) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-[1-[(1-cyclopentylpyrazol-3-yl)methyl]imidazol-4-yl]butan-2-amine.

Molecular Properties

Compound Name1-[1-[(1-cyclopentylpyrazol-3-yl)methyl]imidazol-4-yl]butan-2-amine
PubChem CID106721334
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC Name1-[1-[(1-cyclopentylpyrazol-3-yl)methyl]imidazol-4-yl]butan-2-amine
SMILESCCC(N)Cc1cn(Cc2ccn(C3CCCC3)n2)cn1
InChIInChI=1S/C16H25N5/c1-2-13(17)9-15-11-20(12-18-15)10-14-7-8-21(19-14)16-5-3-4-6-16/h7-8,11-13,16H,2-6,9-10,17H2,1H3
InChIKeySMIFLSAUKBMPNX-UHFFFAOYSA-N
XLogP2.52
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-cyclopentylpyrazol-3-yl)butan-2-amine
CID 64785877
1-[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrol-2-yl]butan-2-amine
CID 66406289
1-(1-cyclohexylpyrazol-3-yl)-4-methylhexan-2-amine
CID 104987864
1-[1-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]butan-2-amine
CID 106721377
1-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]butan-2-amine
CID 66227990
1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrol-3-yl]propan-1-ol
CID 79109333
1-(1-cyclohexylpyrazol-3-yl)-3-methoxypropan-2-amine
CID 64779791
1-[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine
CID 79109471
1-[1-(pyrimidin-2-ylmethyl)imidazol-4-yl]butan-2-amine
CID 106721431
1-(1-cyclohexylpyrazol-3-yl)-3-propoxypropan-2-amine
CID 64777634
1-(1-cyclopentylpyrazol-3-yl)-4,4,4-trifluorobutan-2-amine
CID 64777428
4-(1-cyclohexylpyrazol-3-yl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 115346103

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(1-cyclopentylpyrazol-3-yl)methyl]imidazol-4-yl]butan-2-amine?
The IUPAC name of 1-[1-[(1-cyclopentylpyrazol-3-yl)methyl]imidazol-4-yl]butan-2-amine (CID 106721334) is 1-[1-[(1-cyclopentylpyrazol-3-yl)methyl]imidazol-4-yl]butan-2-amine.
What is the SMILES notation for 1-[1-[(1-cyclopentylpyrazol-3-yl)methyl]imidazol-4-yl]butan-2-amine?
The canonical SMILES for 1-[1-[(1-cyclopentylpyrazol-3-yl)methyl]imidazol-4-yl]butan-2-amine is CCC(N)Cc1cn(Cc2ccn(C3CCCC3)n2)cn1.
What is the InChIKey of 1-[1-[(1-cyclopentylpyrazol-3-yl)methyl]imidazol-4-yl]butan-2-amine?
The InChIKey is SMIFLSAUKBMPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c1-2-13(17)9-15-11-20(12-18-15)10-14-7-8-21(19-14)16-5-3-4-6-16/h7-8,11-13,16H,2-6,9-10,17H2,1H3.
What are the key properties of 1-[1-[(1-cyclopentylpyrazol-3-yl)methyl]imidazol-4-yl]butan-2-amine?
1-[1-[(1-cyclopentylpyrazol-3-yl)methyl]imidazol-4-yl]butan-2-amine has a molecular weight of 287.41 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(1-cyclopentylpyrazol-3-yl)methyl]imidazol-4-yl]butan-2-amine is sourced from PubChem (CID 106721334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).