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

C17H26N4 — CID 66406289

IUPAC1-[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrol-2-yl]butan-2-amine
SMILESCCC(N)Cc1cccn1Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C17H26N4/c1-2-14(18)12-17-8-5-10-20(17)13-15-9-11-21(19-15)16-6-3-4-7-16/h5,8-11,14,16H,2-4,6-7,12-13,18H2,1H3
InChIKeyDCRQFTLXIGVRIV-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.13
Rot. Bonds6

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

1-[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrol-2-yl]butan-2-amine (PubChem CID 66406289) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrol-2-yl]butan-2-amine.

Molecular Properties

Compound Name1-[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrol-2-yl]butan-2-amine
PubChem CID66406289
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC Name1-[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrol-2-yl]butan-2-amine
SMILESCCC(N)Cc1cccn1Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C17H26N4/c1-2-14(18)12-17-8-5-10-20(17)13-15-9-11-21(19-15)16-6-3-4-7-16/h5,8-11,14,16H,2-4,6-7,12-13,18H2,1H3
InChIKeyDCRQFTLXIGVRIV-UHFFFAOYSA-N
XLogP3.13
TPSA48.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-cyclopentylpyrazol-3-yl)butan-2-amine
CID 64785877
1-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrrol-2-yl]butan-2-amine
CID 66405681
1-[1-[(1-cyclopentylpyrazol-3-yl)methyl]imidazol-4-yl]butan-2-amine
CID 106721334
N-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine
CID 66402598
1-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]butan-2-amine
CID 66227990
1-(1-cyclohexylpyrazol-3-yl)-4-methylhexan-2-amine
CID 104987864
1-[1-[(1-cyclopentylpyrazol-3-yl)methyl]imidazol-2-yl]propan-2-amine
CID 64779300
1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrole-2-carbaldehyde
CID 66407470
1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]imidazol-2-yl]propan-2-amine
CID 64779302
1-(1-cyclohexylpyrazol-3-yl)-3-methoxypropan-2-amine
CID 64779791
1-(1-cyclohexylpyrazol-3-yl)hexan-3-amine
CID 64785365
1-cyclohexyl-3-ethylpyrazole
CID 66014335

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrol-2-yl]butan-2-amine?
The IUPAC name of 1-[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrol-2-yl]butan-2-amine (CID 66406289) is 1-[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrol-2-yl]butan-2-amine.
What is the SMILES notation for 1-[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrol-2-yl]butan-2-amine?
The canonical SMILES for 1-[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrol-2-yl]butan-2-amine is CCC(N)Cc1cccn1Cc1ccn(C2CCCC2)n1.
What is the InChIKey of 1-[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrol-2-yl]butan-2-amine?
The InChIKey is DCRQFTLXIGVRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-2-14(18)12-17-8-5-10-20(17)13-15-9-11-21(19-15)16-6-3-4-7-16/h5,8-11,14,16H,2-4,6-7,12-13,18H2,1H3.
What are the key properties of 1-[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrol-2-yl]butan-2-amine?
1-[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrol-2-yl]butan-2-amine has a molecular weight of 286.42 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrol-2-yl]butan-2-amine is sourced from PubChem (CID 66406289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).