[1-(imidazol-1-ylmethyl)cyclopropyl]-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

C16H21N5O — CID 131938482

IUPAC[1-(imidazol-1-ylmethyl)cyclopropyl]-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(N1CCCC(c2ccn[nH]2)C1)C1(Cn2ccnc2)CC1
InChIInChI=1S/C16H21N5O/c22-15(16(4-5-16)11-20-9-7-17-12-20)21-8-1-2-13(10-21)14-3-6-18-19-14/h3,6-7,9,12-13H,1-2,4-5,8,10-11H2,(H,18,19)
InChIKeyJFSQKVHEZIWSLJ-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.79
Rot. Bonds4

About [1-(imidazol-1-ylmethyl)cyclopropyl]-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

[1-(imidazol-1-ylmethyl)cyclopropyl]-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 131938482) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is [1-(imidazol-1-ylmethyl)cyclopropyl]-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(imidazol-1-ylmethyl)cyclopropyl]-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
PubChem CID131938482
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name[1-(imidazol-1-ylmethyl)cyclopropyl]-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(N1CCCC(c2ccn[nH]2)C1)C1(Cn2ccnc2)CC1
InChIInChI=1S/C16H21N5O/c22-15(16(4-5-16)11-20-9-7-17-12-20)21-8-1-2-13(10-21)14-3-6-18-19-14/h3,6-7,9,12-13H,1-2,4-5,8,10-11H2,(H,18,19)
InChIKeyJFSQKVHEZIWSLJ-UHFFFAOYSA-N
XLogP1.79
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-imidazol-1-yl-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 124966328
1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 62867071
[3-(aminomethyl)pyrrolidin-1-yl]-[1-(imidazol-1-ylmethyl)cyclopropyl]methanone;dihydrochloride
CID 154911151
1-[(3S)-3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]cyclopentane-1-carbonitrile
CID 95768398
cyclopropyl-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 62866717
N-[(4-imidazol-1-ylphenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 166197984
(4,4-difluorocyclohexyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 110271226
3-(propan-2-ylamino)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 54873257
2,2-difluoro-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 103514888
[3-(1H-pyrazol-5-yl)piperidin-1-yl]-(2H-triazol-4-yl)methanone
CID 78917987
cyclopent-3-en-1-yl-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95775037
2-(1-propan-2-ylpyrazol-3-yl)-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 95780445

Frequently Asked Questions

What is the IUPAC name of [1-(imidazol-1-ylmethyl)cyclopropyl]-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of [1-(imidazol-1-ylmethyl)cyclopropyl]-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone (CID 131938482) is [1-(imidazol-1-ylmethyl)cyclopropyl]-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [1-(imidazol-1-ylmethyl)cyclopropyl]-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for [1-(imidazol-1-ylmethyl)cyclopropyl]-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone is O=C(N1CCCC(c2ccn[nH]2)C1)C1(Cn2ccnc2)CC1.
What is the InChIKey of [1-(imidazol-1-ylmethyl)cyclopropyl]-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is JFSQKVHEZIWSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c22-15(16(4-5-16)11-20-9-7-17-12-20)21-8-1-2-13(10-21)14-3-6-18-19-14/h3,6-7,9,12-13H,1-2,4-5,8,10-11H2,(H,18,19).
What are the key properties of [1-(imidazol-1-ylmethyl)cyclopropyl]-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
[1-(imidazol-1-ylmethyl)cyclopropyl]-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 299.38 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(imidazol-1-ylmethyl)cyclopropyl]-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 131938482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).