(5-cyclopropyl-1H-pyrazol-3-yl)-[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]methanone

C17H21N5O — CID 118789382

IUPAC(5-cyclopropyl-1H-pyrazol-3-yl)-[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]methanone
SMILESCc1cncnc1C1CCN(C(=O)c2cc(C3CC3)[nH]n2)CC1
InChIInChI=1S/C17H21N5O/c1-11-9-18-10-19-16(11)13-4-6-22(7-5-13)17(23)15-8-14(20-21-15)12-2-3-12/h8-10,12-13H,2-7H2,1H3,(H,20,21)
InChIKeyGOZRWCZAXGSXIU-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.41
Rot. Bonds3

About (5-cyclopropyl-1H-pyrazol-3-yl)-[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]methanone

(5-cyclopropyl-1H-pyrazol-3-yl)-[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]methanone (PubChem CID 118789382) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is (5-cyclopropyl-1H-pyrazol-3-yl)-[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1H-pyrazol-3-yl)-[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]methanone
PubChem CID118789382
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name(5-cyclopropyl-1H-pyrazol-3-yl)-[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]methanone
SMILESCc1cncnc1C1CCN(C(=O)c2cc(C3CC3)[nH]n2)CC1
InChIInChI=1S/C17H21N5O/c1-11-9-18-10-19-16(11)13-4-6-22(7-5-13)17(23)15-8-14(20-21-15)12-2-3-12/h8-10,12-13H,2-7H2,1H3,(H,20,21)
InChIKeyGOZRWCZAXGSXIU-UHFFFAOYSA-N
XLogP2.41
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5-cyclopropyl-1H-pyrazol-3-yl)-[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 95824390
ethyl 5-chloro-2-[1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]pyridine-3-carboxylate
CID 92593007
ethyl 1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidine-4-carboxylate
CID 19591205
(5-cyclopropyl-1H-pyrazol-3-yl)-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 126887579
[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone
CID 118787753
(5-cyclopropyl-1H-pyrazol-3-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119644750
(5-cyclopropyl-1H-pyrazol-3-yl)-[3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 121019587
[(3R)-1,1-dioxothiolan-3-yl]-[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 126428924
[4-(cyclopropylmethylamino)piperidin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone;hydrochloride
CID 119622124
3-[[1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944769
[(3aR,4R,7S,7aS)-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindol-2-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone
CID 56872114
[4-(butylsulfanylmethyl)-5-methylfuran-2-yl]-[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 118763260

Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1H-pyrazol-3-yl)-[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]methanone?
The IUPAC name of (5-cyclopropyl-1H-pyrazol-3-yl)-[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]methanone (CID 118789382) is (5-cyclopropyl-1H-pyrazol-3-yl)-[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-cyclopropyl-1H-pyrazol-3-yl)-[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]methanone?
The canonical SMILES for (5-cyclopropyl-1H-pyrazol-3-yl)-[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]methanone is Cc1cncnc1C1CCN(C(=O)c2cc(C3CC3)[nH]n2)CC1.
What is the InChIKey of (5-cyclopropyl-1H-pyrazol-3-yl)-[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]methanone?
The InChIKey is GOZRWCZAXGSXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-11-9-18-10-19-16(11)13-4-6-22(7-5-13)17(23)15-8-14(20-21-15)12-2-3-12/h8-10,12-13H,2-7H2,1H3,(H,20,21).
What are the key properties of (5-cyclopropyl-1H-pyrazol-3-yl)-[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]methanone?
(5-cyclopropyl-1H-pyrazol-3-yl)-[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]methanone has a molecular weight of 311.39 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1H-pyrazol-3-yl)-[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 118789382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).