N-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine

C17H24N4 — CID 66402598

IUPACN-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine
SMILESc1cc(CNC2CC2)n(Cc2ccn(C3CCCC3)n2)c1
InChIInChI=1S/C17H24N4/c1-2-5-16(4-1)21-11-9-15(19-21)13-20-10-3-6-17(20)12-18-14-7-8-14/h3,6,9-11,14,16,18H,1-2,4-5,7-8,12-13H2
InChIKeyHAKFZRSFIDNNNK-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.10
Rot. Bonds6

About N-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine

N-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine (PubChem CID 66402598) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is N-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine
PubChem CID66402598
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC NameN-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine
SMILESc1cc(CNC2CC2)n(Cc2ccn(C3CCCC3)n2)c1
InChIInChI=1S/C17H24N4/c1-2-5-16(4-1)21-11-9-15(19-21)13-20-10-3-6-17(20)12-18-14-7-8-14/h3,6,9-11,14,16,18H,1-2,4-5,7-8,12-13H2
InChIKeyHAKFZRSFIDNNNK-UHFFFAOYSA-N
XLogP3.10
TPSA34.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrol-2-yl]butan-2-amine
CID 66406289
4-chloro-N-[(1-cyclohexylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 65023954
1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrole-2-carbaldehyde
CID 66407470
N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine
CID 66403372
N-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]cyclopropanamine
CID 64784555
N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine
CID 66403179
1-[(1-cyclopentylpyrazol-3-yl)methyl]-N-ethylpiperidin-4-amine
CID 64801540
N-[3-(1-cyclopentylpyrazol-3-yl)-2-methylpropyl]cyclopropanamine
CID 64779461
1-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylindole
CID 116620406
N-[(1-ethylpyrrol-2-yl)methyl]cyclohexanamine
CID 66411275
N-[(1-ethylpyrrol-2-yl)methyl]cyclooctanamine
CID 66410893
N-[[1-(oxan-3-yl)pyrazol-3-yl]methyl]cyclopropanamine
CID 107137702

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine (CID 66402598) is N-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine is c1cc(CNC2CC2)n(Cc2ccn(C3CCCC3)n2)c1.
What is the InChIKey of N-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine?
The InChIKey is HAKFZRSFIDNNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-2-5-16(4-1)21-11-9-15(19-21)13-20-10-3-6-17(20)12-18-14-7-8-14/h3,6,9-11,14,16,18H,1-2,4-5,7-8,12-13H2.
What are the key properties of N-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine?
N-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine has a molecular weight of 284.41 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 66402598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).