[(3S)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-(1-ethyl-3,5-dimethylpyrazol-4-yl)methanone

C20H29N5O — CID 96578945

IUPAC[(3S)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-(1-ethyl-3,5-dimethylpyrazol-4-yl)methanone
SMILESCCn1nc(C)c(C(=O)N2CCC[C@H](c3nccn3CC3CC3)C2)c1C
InChIInChI=1S/C20H29N5O/c1-4-25-15(3)18(14(2)22-25)20(26)24-10-5-6-17(13-24)19-21-9-11-23(19)12-16-7-8-16/h9,11,16-17H,4-8,10,12-13H2,1-3H3/t17-/m0/s1
InChIKeyQKRRSVIOFOZWLP-KRWDZBQOSA-N
MW355.49 g/mol
LogP3.15
Rot. Bonds5

About [(3S)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-(1-ethyl-3,5-dimethylpyrazol-4-yl)methanone

[(3S)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-(1-ethyl-3,5-dimethylpyrazol-4-yl)methanone (PubChem CID 96578945) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is [(3S)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-(1-ethyl-3,5-dimethylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-(1-ethyl-3,5-dimethylpyrazol-4-yl)methanone
PubChem CID96578945
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC Name[(3S)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-(1-ethyl-3,5-dimethylpyrazol-4-yl)methanone
SMILESCCn1nc(C)c(C(=O)N2CCC[C@H](c3nccn3CC3CC3)C2)c1C
InChIInChI=1S/C20H29N5O/c1-4-25-15(3)18(14(2)22-25)20(26)24-10-5-6-17(13-24)19-21-9-11-23(19)12-16-7-8-16/h9,11,16-17H,4-8,10,12-13H2,1-3H3/t17-/m0/s1
InChIKeyQKRRSVIOFOZWLP-KRWDZBQOSA-N
XLogP3.15
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-(1-ethyl-3,5-dimethylpyrazol-4-yl)methanone?
The IUPAC name of [(3S)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-(1-ethyl-3,5-dimethylpyrazol-4-yl)methanone (CID 96578945) is [(3S)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-(1-ethyl-3,5-dimethylpyrazol-4-yl)methanone.
What is the SMILES notation for [(3S)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-(1-ethyl-3,5-dimethylpyrazol-4-yl)methanone?
The canonical SMILES for [(3S)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-(1-ethyl-3,5-dimethylpyrazol-4-yl)methanone is CCn1nc(C)c(C(=O)N2CCC[C@H](c3nccn3CC3CC3)C2)c1C.
What is the InChIKey of [(3S)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-(1-ethyl-3,5-dimethylpyrazol-4-yl)methanone?
The InChIKey is QKRRSVIOFOZWLP-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H29N5O/c1-4-25-15(3)18(14(2)22-25)20(26)24-10-5-6-17(13-24)19-21-9-11-23(19)12-16-7-8-16/h9,11,16-17H,4-8,10,12-13H2,1-3H3/t17-/m0/s1.
What are the key properties of [(3S)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-(1-ethyl-3,5-dimethylpyrazol-4-yl)methanone?
[(3S)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-(1-ethyl-3,5-dimethylpyrazol-4-yl)methanone has a molecular weight of 355.49 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-(1-ethyl-3,5-dimethylpyrazol-4-yl)methanone is sourced from PubChem (CID 96578945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).