[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone

C19H27N5O — CID 70783682

IUPAC[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone
SMILESCCCc1[nH]ncc1C(=O)N1CCCC(c2nccn2CC2CC2)C1
InChIInChI=1S/C19H27N5O/c1-2-4-17-16(11-21-22-17)19(25)24-9-3-5-15(13-24)18-20-8-10-23(18)12-14-6-7-14/h8,10-11,14-15H,2-7,9,12-13H2,1H3,(H,21,22)
InChIKeyCSUJDVPVGAGXBM-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.99
Rot. Bonds6

About [3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone

[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone (PubChem CID 70783682) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is [3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone
PubChem CID70783682
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone
SMILESCCCc1[nH]ncc1C(=O)N1CCCC(c2nccn2CC2CC2)C1
InChIInChI=1S/C19H27N5O/c1-2-4-17-16(11-21-22-17)19(25)24-9-3-5-15(13-24)18-20-8-10-23(18)12-14-6-7-14/h8,10-11,14-15H,2-7,9,12-13H2,1H3,(H,21,22)
InChIKeyCSUJDVPVGAGXBM-UHFFFAOYSA-N
XLogP2.99
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone?
The IUPAC name of [3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone (CID 70783682) is [3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone.
What is the SMILES notation for [3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone?
The canonical SMILES for [3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone is CCCc1[nH]ncc1C(=O)N1CCCC(c2nccn2CC2CC2)C1.
What is the InChIKey of [3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone?
The InChIKey is CSUJDVPVGAGXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-2-4-17-16(11-21-22-17)19(25)24-9-3-5-15(13-24)18-20-8-10-23(18)12-14-6-7-14/h8,10-11,14-15H,2-7,9,12-13H2,1H3,(H,21,22).
What are the key properties of [3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone?
[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone has a molecular weight of 341.46 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 70783682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).