N,N-dimethyl-1-[[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-amine

C18H27N5 — CID 47611796

IUPACN,N-dimethyl-1-[[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-amine
SMILESCN(C)C1(CNCc2cn(C)nc2-c2ccncc2)CCCC1
InChIInChI=1S/C18H27N5/c1-22(2)18(8-4-5-9-18)14-20-12-16-13-23(3)21-17(16)15-6-10-19-11-7-15/h6-7,10-11,13,20H,4-5,8-9,12,14H2,1-3H3
InChIKeyPDXZQGSBTGIUST-UHFFFAOYSA-N
MW313.45 g/mol
LogP2.45
Rot. Bonds6

About N,N-dimethyl-1-[[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-amine

N,N-dimethyl-1-[[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-amine (PubChem CID 47611796) has the molecular formula C18H27N5 and a molecular weight of 313.45 g/mol. Its IUPAC name is N,N-dimethyl-1-[[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-amine
PubChem CID47611796
Molecular FormulaC18H27N5
Molecular Weight313.45 g/mol
Exact Mass313.23
IUPAC NameN,N-dimethyl-1-[[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-amine
SMILESCN(C)C1(CNCc2cn(C)nc2-c2ccncc2)CCCC1
InChIInChI=1S/C18H27N5/c1-22(2)18(8-4-5-9-18)14-20-12-16-13-23(3)21-17(16)15-6-10-19-11-7-15/h6-7,10-11,13,20H,4-5,8-9,12,14H2,1-3H3
InChIKeyPDXZQGSBTGIUST-UHFFFAOYSA-N
XLogP2.45
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-amine?
The IUPAC name of N,N-dimethyl-1-[[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-amine (CID 47611796) is N,N-dimethyl-1-[[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-amine.
What is the SMILES notation for N,N-dimethyl-1-[[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-amine?
The canonical SMILES for N,N-dimethyl-1-[[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-amine is CN(C)C1(CNCc2cn(C)nc2-c2ccncc2)CCCC1.
What is the InChIKey of N,N-dimethyl-1-[[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-amine?
The InChIKey is PDXZQGSBTGIUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5/c1-22(2)18(8-4-5-9-18)14-20-12-16-13-23(3)21-17(16)15-6-10-19-11-7-15/h6-7,10-11,13,20H,4-5,8-9,12,14H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-amine?
N,N-dimethyl-1-[[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-amine has a molecular weight of 313.45 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-amine is sourced from PubChem (CID 47611796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).