N,3,3-trimethyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]cyclopentan-1-amine

C15H27N3 — CID 146046168

IUPACN,3,3-trimethyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]cyclopentan-1-amine
SMILESCCCc1cc(CN(C)C2CCC(C)(C)C2)[nH]n1
InChIInChI=1S/C15H27N3/c1-5-6-12-9-13(17-16-12)11-18(4)14-7-8-15(2,3)10-14/h9,14H,5-8,10-11H2,1-4H3,(H,16,17)
InChIKeyUPHQNEOZQUUGOW-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.37
Rot. Bonds5

About N,3,3-trimethyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]cyclopentan-1-amine

N,3,3-trimethyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]cyclopentan-1-amine (PubChem CID 146046168) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N,3,3-trimethyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound NameN,3,3-trimethyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]cyclopentan-1-amine
PubChem CID146046168
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN,3,3-trimethyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]cyclopentan-1-amine
SMILESCCCc1cc(CN(C)C2CCC(C)(C)C2)[nH]n1
InChIInChI=1S/C15H27N3/c1-5-6-12-9-13(17-16-12)11-18(4)14-7-8-15(2,3)10-14/h9,14H,5-8,10-11H2,1-4H3,(H,16,17)
InChIKeyUPHQNEOZQUUGOW-UHFFFAOYSA-N
XLogP3.37
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,3,3-trimethyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]cyclopentan-1-amine?
The IUPAC name of N,3,3-trimethyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]cyclopentan-1-amine (CID 146046168) is N,3,3-trimethyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]cyclopentan-1-amine.
What is the SMILES notation for N,3,3-trimethyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]cyclopentan-1-amine?
The canonical SMILES for N,3,3-trimethyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]cyclopentan-1-amine is CCCc1cc(CN(C)C2CCC(C)(C)C2)[nH]n1.
What is the InChIKey of N,3,3-trimethyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]cyclopentan-1-amine?
The InChIKey is UPHQNEOZQUUGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-5-6-12-9-13(17-16-12)11-18(4)14-7-8-15(2,3)10-14/h9,14H,5-8,10-11H2,1-4H3,(H,16,17).
What are the key properties of N,3,3-trimethyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]cyclopentan-1-amine?
N,3,3-trimethyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]cyclopentan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,3-trimethyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 146046168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).