[3-[cyclopropylmethyl(oxan-4-yl)amino]azetidin-1-yl]-(2-methylpyrazol-3-yl)methanone

C17H26N4O2 — CID 91920591

IUPAC[3-[cyclopropylmethyl(oxan-4-yl)amino]azetidin-1-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCn1nccc1C(=O)N1CC(N(CC2CC2)C2CCOCC2)C1
InChIInChI=1S/C17H26N4O2/c1-19-16(4-7-18-19)17(22)20-11-15(12-20)21(10-13-2-3-13)14-5-8-23-9-6-14/h4,7,13-15H,2-3,5-6,8-12H2,1H3
InChIKeyMUZQPGCBYIKOLY-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.14
Rot. Bonds5

About [3-[cyclopropylmethyl(oxan-4-yl)amino]azetidin-1-yl]-(2-methylpyrazol-3-yl)methanone

[3-[cyclopropylmethyl(oxan-4-yl)amino]azetidin-1-yl]-(2-methylpyrazol-3-yl)methanone (PubChem CID 91920591) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is [3-[cyclopropylmethyl(oxan-4-yl)amino]azetidin-1-yl]-(2-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[3-[cyclopropylmethyl(oxan-4-yl)amino]azetidin-1-yl]-(2-methylpyrazol-3-yl)methanone
PubChem CID91920591
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name[3-[cyclopropylmethyl(oxan-4-yl)amino]azetidin-1-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCn1nccc1C(=O)N1CC(N(CC2CC2)C2CCOCC2)C1
InChIInChI=1S/C17H26N4O2/c1-19-16(4-7-18-19)17(22)20-11-15(12-20)21(10-13-2-3-13)14-5-8-23-9-6-14/h4,7,13-15H,2-3,5-6,8-12H2,1H3
InChIKeyMUZQPGCBYIKOLY-UHFFFAOYSA-N
XLogP1.14
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 53150889
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CID 53193449

Frequently Asked Questions

What is the IUPAC name of [3-[cyclopropylmethyl(oxan-4-yl)amino]azetidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The IUPAC name of [3-[cyclopropylmethyl(oxan-4-yl)amino]azetidin-1-yl]-(2-methylpyrazol-3-yl)methanone (CID 91920591) is [3-[cyclopropylmethyl(oxan-4-yl)amino]azetidin-1-yl]-(2-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [3-[cyclopropylmethyl(oxan-4-yl)amino]azetidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The canonical SMILES for [3-[cyclopropylmethyl(oxan-4-yl)amino]azetidin-1-yl]-(2-methylpyrazol-3-yl)methanone is Cn1nccc1C(=O)N1CC(N(CC2CC2)C2CCOCC2)C1.
What is the InChIKey of [3-[cyclopropylmethyl(oxan-4-yl)amino]azetidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The InChIKey is MUZQPGCBYIKOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-19-16(4-7-18-19)17(22)20-11-15(12-20)21(10-13-2-3-13)14-5-8-23-9-6-14/h4,7,13-15H,2-3,5-6,8-12H2,1H3.
What are the key properties of [3-[cyclopropylmethyl(oxan-4-yl)amino]azetidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
[3-[cyclopropylmethyl(oxan-4-yl)amino]azetidin-1-yl]-(2-methylpyrazol-3-yl)methanone has a molecular weight of 318.42 g/mol, XLogP of 1.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[cyclopropylmethyl(oxan-4-yl)amino]azetidin-1-yl]-(2-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 91920591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).