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

C17H28N4 — CID 64784555

IUPACN-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]cyclopropanamine
SMILESc1cn(C2CCCC2)nc1CN1CCCC1CNC1CC1
InChIInChI=1S/C17H28N4/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/h9,11,14,16-18H,1-8,10,12-13H2
InChIKeyIPCDDNPWGUYKGT-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.71
Rot. Bonds6

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

N-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]cyclopropanamine (PubChem CID 64784555) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]cyclopropanamine
PubChem CID64784555
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC NameN-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]cyclopropanamine
SMILESc1cn(C2CCCC2)nc1CN1CCCC1CNC1CC1
InChIInChI=1S/C17H28N4/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/h9,11,14,16-18H,1-8,10,12-13H2
InChIKeyIPCDDNPWGUYKGT-UHFFFAOYSA-N
XLogP2.71
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidin-2-yl]acetic acid
CID 64783454
N-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]piperidin-2-yl]methyl]cyclopropanamine
CID 64785329
1-[(1-cyclopentylpyrazol-3-yl)methyl]-N-ethylpiperidin-4-amine
CID 64801540
1-(cyclopentylamino)-3-(1-cyclopentylpyrazol-3-yl)propan-2-one
CID 116559185
1-[(1-cyclopentylpyrazol-3-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102681665
N-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine
CID 66402598
N-[3-(1-cyclopentylpyrazol-3-yl)-2-methylpropyl]cyclopropanamine
CID 64779461
4-chloro-N-[(1-cyclohexylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 65023954
N-[2-[(1-cyclopentylpyrazol-3-yl)methyl]butyl]cyclopropanamine
CID 64777118
3-chloro-1-[(1-cyclohexylpyrazol-3-yl)methyl]piperidine
CID 64779699
1-(1-cyclohexylpyrazol-3-yl)-4-(cyclopropylamino)butan-2-one
CID 116559419
1-cyclohexyl-3-ethylpyrazole
CID 66014335

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]cyclopropanamine (CID 64784555) is N-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]cyclopropanamine is c1cn(C2CCCC2)nc1CN1CCCC1CNC1CC1.
What is the InChIKey of N-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]cyclopropanamine?
The InChIKey is IPCDDNPWGUYKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/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/h9,11,14,16-18H,1-8,10,12-13H2.
What are the key properties of N-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]cyclopropanamine?
N-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]cyclopropanamine has a molecular weight of 288.44 g/mol, XLogP of 2.71, 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]pyrrolidin-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 64784555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).