N-[1-[1-[(1-cyclopentylpyrazol-3-yl)methyl]cyclopropyl]ethyl]propan-1-amine

C17H29N3 — CID 106798023

IUPACN-[1-[1-[(1-cyclopentylpyrazol-3-yl)methyl]cyclopropyl]ethyl]propan-1-amine
SMILESCCCNC(C)C1(Cc2ccn(C3CCCC3)n2)CC1
InChIInChI=1S/C17H29N3/c1-3-11-18-14(2)17(9-10-17)13-15-8-12-20(19-15)16-6-4-5-7-16/h8,12,14,16,18H,3-7,9-11,13H2,1-2H3
InChIKeyCMIMYUZTXYRDCR-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.71
Rot. Bonds7

About N-[1-[1-[(1-cyclopentylpyrazol-3-yl)methyl]cyclopropyl]ethyl]propan-1-amine

N-[1-[1-[(1-cyclopentylpyrazol-3-yl)methyl]cyclopropyl]ethyl]propan-1-amine (PubChem CID 106798023) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[1-[1-[(1-cyclopentylpyrazol-3-yl)methyl]cyclopropyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[1-[(1-cyclopentylpyrazol-3-yl)methyl]cyclopropyl]ethyl]propan-1-amine
PubChem CID106798023
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN-[1-[1-[(1-cyclopentylpyrazol-3-yl)methyl]cyclopropyl]ethyl]propan-1-amine
SMILESCCCNC(C)C1(Cc2ccn(C3CCCC3)n2)CC1
InChIInChI=1S/C17H29N3/c1-3-11-18-14(2)17(9-10-17)13-15-8-12-20(19-15)16-6-4-5-7-16/h8,12,14,16,18H,3-7,9-11,13H2,1-2H3
InChIKeyCMIMYUZTXYRDCR-UHFFFAOYSA-N
XLogP3.71
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-cyclopentylpyrazol-3-yl)-3-methyl-N-propylbutan-2-amine
CID 64784785
1-(1-cyclohexylpyrazol-3-yl)-4-methyl-N-propylpentan-2-amine
CID 64777028
5-(1-cyclohexylpyrazol-3-yl)-4-methyl-N-propylpentan-2-amine
CID 64778196
1-(1-cyclohexylpyrazol-3-yl)-N-propylbutan-2-amine
CID 64779979
1-(1-cyclohexylpyrazol-3-yl)-N-propylpentan-2-amine
CID 64778794
6-(1-cyclopentylpyrazol-3-yl)-2-methyl-N-propylhexan-3-amine
CID 64777007
N-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]cyclopropyl]methyl]ethanamine
CID 66026217
N-[(1-cyclopentylpyrazol-3-yl)methyl]butan-2-amine
CID 64801770
1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclohexyl]-N-methylmethanamine
CID 64779878
1-(1-cyclohexylpyrazol-3-yl)-3-ethylsulfanyl-N-propylpropan-2-amine
CID 65127665
1-[(1-cyclopentylpyrazol-3-yl)methyl]-4-propylcyclohexan-1-amine
CID 64784480
1-(1-cyclopentylpyrazol-3-yl)-3-cyclopropyl-N-ethylbutan-2-amine
CID 104993917

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[(1-cyclopentylpyrazol-3-yl)methyl]cyclopropyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[1-[(1-cyclopentylpyrazol-3-yl)methyl]cyclopropyl]ethyl]propan-1-amine (CID 106798023) is N-[1-[1-[(1-cyclopentylpyrazol-3-yl)methyl]cyclopropyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[1-[(1-cyclopentylpyrazol-3-yl)methyl]cyclopropyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[1-[(1-cyclopentylpyrazol-3-yl)methyl]cyclopropyl]ethyl]propan-1-amine is CCCNC(C)C1(Cc2ccn(C3CCCC3)n2)CC1.
What is the InChIKey of N-[1-[1-[(1-cyclopentylpyrazol-3-yl)methyl]cyclopropyl]ethyl]propan-1-amine?
The InChIKey is CMIMYUZTXYRDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-3-11-18-14(2)17(9-10-17)13-15-8-12-20(19-15)16-6-4-5-7-16/h8,12,14,16,18H,3-7,9-11,13H2,1-2H3.
What are the key properties of N-[1-[1-[(1-cyclopentylpyrazol-3-yl)methyl]cyclopropyl]ethyl]propan-1-amine?
N-[1-[1-[(1-cyclopentylpyrazol-3-yl)methyl]cyclopropyl]ethyl]propan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[(1-cyclopentylpyrazol-3-yl)methyl]cyclopropyl]ethyl]propan-1-amine is sourced from PubChem (CID 106798023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).