1-cyclopropyl-5-[(3-pyrazol-1-ylazetidin-1-yl)methyl]imidazole

C13H17N5 — CID 126900325

IUPAC1-cyclopropyl-5-[(3-pyrazol-1-ylazetidin-1-yl)methyl]imidazole
SMILESc1cnn(C2CN(Cc3cncn3C3CC3)C2)c1
InChIInChI=1S/C13H17N5/c1-4-15-18(5-1)13-8-16(9-13)7-12-6-14-10-17(12)11-2-3-11/h1,4-6,10-11,13H,2-3,7-9H2
InChIKeyDYHYKGZMJKDELV-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.47
Rot. Bonds4

About 1-cyclopropyl-5-[(3-pyrazol-1-ylazetidin-1-yl)methyl]imidazole

1-cyclopropyl-5-[(3-pyrazol-1-ylazetidin-1-yl)methyl]imidazole (PubChem CID 126900325) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-cyclopropyl-5-[(3-pyrazol-1-ylazetidin-1-yl)methyl]imidazole.

Molecular Properties

Compound Name1-cyclopropyl-5-[(3-pyrazol-1-ylazetidin-1-yl)methyl]imidazole
PubChem CID126900325
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name1-cyclopropyl-5-[(3-pyrazol-1-ylazetidin-1-yl)methyl]imidazole
SMILESc1cnn(C2CN(Cc3cncn3C3CC3)C2)c1
InChIInChI=1S/C13H17N5/c1-4-15-18(5-1)13-8-16(9-13)7-12-6-14-10-17(12)11-2-3-11/h1,4-6,10-11,13H,2-3,7-9H2
InChIKeyDYHYKGZMJKDELV-UHFFFAOYSA-N
XLogP1.47
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrolidin-3-amine
CID 115302453
2-methyl-4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]triazole
CID 126900246
2-[1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrolidin-3-yl]acetic acid
CID 66141891
1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrolidine-3-carboxylic acid
CID 66140474
1-methyl-6-[(3-pyrazol-1-ylpyrrolidin-1-yl)methyl]pyrazin-2-one
CID 126946527
2-[(3-cyclopropylimidazol-4-yl)methyl]pyrazol-3-amine
CID 66141004
5-cyclopropyl-2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-oxazole
CID 126900314
2-[1-[(3-cyclopropylimidazol-4-yl)methyl]piperidin-4-yl]oxyethanol
CID 82691745
1-cyclopropyl-5-[(4-iodopyrazol-1-yl)methyl]imidazole
CID 66152919
[1-[(3-cyclopropylimidazol-4-yl)methyl]imidazol-4-yl]methanamine
CID 106717969
(3S)-1-[(3-cyclopropylimidazol-4-yl)methyl]-3-[2-(2-methylphenyl)ethyl]piperidine
CID 95715894
2-cyclopropyl-4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-thiazole
CID 126900196

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-[(3-pyrazol-1-ylazetidin-1-yl)methyl]imidazole?
The IUPAC name of 1-cyclopropyl-5-[(3-pyrazol-1-ylazetidin-1-yl)methyl]imidazole (CID 126900325) is 1-cyclopropyl-5-[(3-pyrazol-1-ylazetidin-1-yl)methyl]imidazole.
What is the SMILES notation for 1-cyclopropyl-5-[(3-pyrazol-1-ylazetidin-1-yl)methyl]imidazole?
The canonical SMILES for 1-cyclopropyl-5-[(3-pyrazol-1-ylazetidin-1-yl)methyl]imidazole is c1cnn(C2CN(Cc3cncn3C3CC3)C2)c1.
What is the InChIKey of 1-cyclopropyl-5-[(3-pyrazol-1-ylazetidin-1-yl)methyl]imidazole?
The InChIKey is DYHYKGZMJKDELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-4-15-18(5-1)13-8-16(9-13)7-12-6-14-10-17(12)11-2-3-11/h1,4-6,10-11,13H,2-3,7-9H2.
What are the key properties of 1-cyclopropyl-5-[(3-pyrazol-1-ylazetidin-1-yl)methyl]imidazole?
1-cyclopropyl-5-[(3-pyrazol-1-ylazetidin-1-yl)methyl]imidazole has a molecular weight of 243.31 g/mol, XLogP of 1.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-[(3-pyrazol-1-ylazetidin-1-yl)methyl]imidazole is sourced from PubChem (CID 126900325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).