N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine

C20H28N4O — CID 120916423

IUPACN-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine
SMILESCn1cc(-c2cccc(CNC3CCCC3C3COCCN3)c2)cn1
InChIInChI=1S/C20H28N4O/c1-24-13-17(12-23-24)16-5-2-4-15(10-16)11-22-19-7-3-6-18(19)20-14-25-9-8-21-20/h2,4-5,10,12-13,18-22H,3,6-9,11,14H2,1H3
InChIKeyCDHHQWPKCFWIHR-UHFFFAOYSA-N
MW340.47 g/mol
LogP2.33
Rot. Bonds5

About N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine

N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine (PubChem CID 120916423) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine
PubChem CID120916423
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC NameN-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine
SMILESCn1cc(-c2cccc(CNC3CCCC3C3COCCN3)c2)cn1
InChIInChI=1S/C20H28N4O/c1-24-13-17(12-23-24)16-5-2-4-15(10-16)11-22-19-7-3-6-18(19)20-14-25-9-8-21-20/h2,4-5,10,12-13,18-22H,3,6-9,11,14H2,1H3
InChIKeyCDHHQWPKCFWIHR-UHFFFAOYSA-N
XLogP2.33
TPSA51.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]methanol
CID 120914335
N-[[3-(methoxymethyl)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120915585
N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120914320
N-[3-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]acetamide;hydrochloride
CID 120915446
N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120915193
N-[(2-methylpyrazol-3-yl)methyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120915279
N-[3-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]cyclobutanecarboxamide
CID 120914967
N-[(4-fluoro-3-methylphenyl)methyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120914901
3-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 120914232
2-morpholin-3-yl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]cyclopentan-1-amine
CID 120915183
N-[(1-methylpyrazol-4-yl)methyl]-2-pyrrolidin-2-ylcyclopentan-1-amine
CID 79544285
N-[3-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]oxolane-2-carboxamide
CID 120915797

Frequently Asked Questions

What is the IUPAC name of N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine?
The IUPAC name of N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine (CID 120916423) is N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine.
What is the SMILES notation for N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine?
The canonical SMILES for N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine is Cn1cc(-c2cccc(CNC3CCCC3C3COCCN3)c2)cn1.
What is the InChIKey of N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine?
The InChIKey is CDHHQWPKCFWIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-24-13-17(12-23-24)16-5-2-4-15(10-16)11-22-19-7-3-6-18(19)20-14-25-9-8-21-20/h2,4-5,10,12-13,18-22H,3,6-9,11,14H2,1H3.
What are the key properties of N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine?
N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine has a molecular weight of 340.47 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine is sourced from PubChem (CID 120916423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).