N-[2-(azetidin-3-yl)pyrazol-3-yl]-1-(methylamino)cyclopropane-1-carboxamide

C11H17N5O — CID 165483514

IUPACN-[2-(azetidin-3-yl)pyrazol-3-yl]-1-(methylamino)cyclopropane-1-carboxamide
SMILESCNC1(C(=O)Nc2ccnn2C2CNC2)CC1
InChIInChI=1S/C11H17N5O/c1-12-11(3-4-11)10(17)15-9-2-5-14-16(9)8-6-13-7-8/h2,5,8,12-13H,3-4,6-7H2,1H3,(H,15,17)
InChIKeyHSOQQGCHAQTVSG-UHFFFAOYSA-N
MW235.29 g/mol
LogP-0.28
Rot. Bonds4

About N-[2-(azetidin-3-yl)pyrazol-3-yl]-1-(methylamino)cyclopropane-1-carboxamide

N-[2-(azetidin-3-yl)pyrazol-3-yl]-1-(methylamino)cyclopropane-1-carboxamide (PubChem CID 165483514) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is N-[2-(azetidin-3-yl)pyrazol-3-yl]-1-(methylamino)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(azetidin-3-yl)pyrazol-3-yl]-1-(methylamino)cyclopropane-1-carboxamide
PubChem CID165483514
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC NameN-[2-(azetidin-3-yl)pyrazol-3-yl]-1-(methylamino)cyclopropane-1-carboxamide
SMILESCNC1(C(=O)Nc2ccnn2C2CNC2)CC1
InChIInChI=1S/C11H17N5O/c1-12-11(3-4-11)10(17)15-9-2-5-14-16(9)8-6-13-7-8/h2,5,8,12-13H,3-4,6-7H2,1H3,(H,15,17)
InChIKeyHSOQQGCHAQTVSG-UHFFFAOYSA-N
XLogP-0.28
TPSA70.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(azetidin-3-yl)pyrazol-3-yl]-1-(methylamino)cyclopropane-1-carboxamide?
The IUPAC name of N-[2-(azetidin-3-yl)pyrazol-3-yl]-1-(methylamino)cyclopropane-1-carboxamide (CID 165483514) is N-[2-(azetidin-3-yl)pyrazol-3-yl]-1-(methylamino)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[2-(azetidin-3-yl)pyrazol-3-yl]-1-(methylamino)cyclopropane-1-carboxamide?
The canonical SMILES for N-[2-(azetidin-3-yl)pyrazol-3-yl]-1-(methylamino)cyclopropane-1-carboxamide is CNC1(C(=O)Nc2ccnn2C2CNC2)CC1.
What is the InChIKey of N-[2-(azetidin-3-yl)pyrazol-3-yl]-1-(methylamino)cyclopropane-1-carboxamide?
The InChIKey is HSOQQGCHAQTVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-12-11(3-4-11)10(17)15-9-2-5-14-16(9)8-6-13-7-8/h2,5,8,12-13H,3-4,6-7H2,1H3,(H,15,17).
What are the key properties of N-[2-(azetidin-3-yl)pyrazol-3-yl]-1-(methylamino)cyclopropane-1-carboxamide?
N-[2-(azetidin-3-yl)pyrazol-3-yl]-1-(methylamino)cyclopropane-1-carboxamide has a molecular weight of 235.29 g/mol, XLogP of -0.28, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azetidin-3-yl)pyrazol-3-yl]-1-(methylamino)cyclopropane-1-carboxamide is sourced from PubChem (CID 165483514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).