N-[1-(2-methylcyclopropyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethyl]propan-1-amine

C17H31N3 — CID 65422373

IUPACN-[1-(2-methylcyclopropyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccn(C(CC)CC)n1)C1CC1C
InChIInChI=1S/C17H31N3/c1-5-9-18-17(16-11-13(16)4)12-14-8-10-20(19-14)15(6-2)7-3/h8,10,13,15-18H,5-7,9,11-12H2,1-4H3
InChIKeyPAZGZGCCUXDBCU-UHFFFAOYSA-N
MW277.46 g/mol
LogP3.81
Rot. Bonds9

About N-[1-(2-methylcyclopropyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethyl]propan-1-amine

N-[1-(2-methylcyclopropyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethyl]propan-1-amine (PubChem CID 65422373) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is N-[1-(2-methylcyclopropyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2-methylcyclopropyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethyl]propan-1-amine
PubChem CID65422373
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC NameN-[1-(2-methylcyclopropyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccn(C(CC)CC)n1)C1CC1C
InChIInChI=1S/C17H31N3/c1-5-9-18-17(16-11-13(16)4)12-14-8-10-20(19-14)15(6-2)7-3/h8,10,13,15-18H,5-7,9,11-12H2,1-4H3
InChIKeyPAZGZGCCUXDBCU-UHFFFAOYSA-N
XLogP3.81
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-pentan-3-ylpyrazol-3-yl)-N-propylpropan-2-amine
CID 64777620
3-cyclopropyl-1-(1-pentan-3-ylpyrazol-3-yl)-N-propylbutan-2-amine
CID 104991853
N-ethyl-1-(2-methyloxolan-3-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
CID 104991805
N-[1-(3-methylcyclopentyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]propan-1-amine
CID 65412777
4-methoxy-1-(1-pentan-3-ylpyrazol-3-yl)-N-propylbutan-2-amine
CID 64779388
4-methyl-1-(1-pentan-3-ylpyrazol-3-yl)-N-propylhexan-2-amine
CID 104991789
N-[2-(1-butan-2-ylpyrazol-3-yl)-1-(5-methyloxolan-3-yl)ethyl]propan-1-amine
CID 104989907
3-methoxy-1-(1-pentan-3-ylpyrazol-3-yl)-N-propylpentan-2-amine
CID 116716177
3-ethoxy-1-(1-pentan-3-ylpyrazol-3-yl)-N-propylbutan-2-amine
CID 64779415
1-(1-pentan-3-ylpyrazol-3-yl)-N-propylpentan-3-amine
CID 64783240
N-[2-(1-propan-2-ylpyrazol-3-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethyl]propan-1-amine
CID 104990204
2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-(2-methylcyclopropyl)ethanamine
CID 65420196

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylcyclopropyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(2-methylcyclopropyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethyl]propan-1-amine (CID 65422373) is N-[1-(2-methylcyclopropyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2-methylcyclopropyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(2-methylcyclopropyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethyl]propan-1-amine is CCCNC(Cc1ccn(C(CC)CC)n1)C1CC1C.
What is the InChIKey of N-[1-(2-methylcyclopropyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethyl]propan-1-amine?
The InChIKey is PAZGZGCCUXDBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-5-9-18-17(16-11-13(16)4)12-14-8-10-20(19-14)15(6-2)7-3/h8,10,13,15-18H,5-7,9,11-12H2,1-4H3.
What are the key properties of N-[1-(2-methylcyclopropyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethyl]propan-1-amine?
N-[1-(2-methylcyclopropyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethyl]propan-1-amine has a molecular weight of 277.46 g/mol, XLogP of 3.81, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylcyclopropyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 65422373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).