(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-propoxypiperidin-1-yl)methanone

C15H26N4O2 — CID 62075422

IUPAC(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-propoxypiperidin-1-yl)methanone
SMILESCCCOC1CCCN(C(=O)c2n[nH]c(C(C)C)c2N)C1
InChIInChI=1S/C15H26N4O2/c1-4-8-21-11-6-5-7-19(9-11)15(20)14-12(16)13(10(2)3)17-18-14/h10-11H,4-9,16H2,1-3H3,(H,17,18)
InChIKeyOALVVQSYSKCBTN-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.15
Rot. Bonds5

About (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-propoxypiperidin-1-yl)methanone

(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-propoxypiperidin-1-yl)methanone (PubChem CID 62075422) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-propoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-propoxypiperidin-1-yl)methanone
PubChem CID62075422
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-propoxypiperidin-1-yl)methanone
SMILESCCCOC1CCCN(C(=O)c2n[nH]c(C(C)C)c2N)C1
InChIInChI=1S/C15H26N4O2/c1-4-8-21-11-6-5-7-19(9-11)15(20)14-12(16)13(10(2)3)17-18-14/h10-11H,4-9,16H2,1-3H3,(H,17,18)
InChIKeyOALVVQSYSKCBTN-UHFFFAOYSA-N
XLogP2.15
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-ethoxypiperidin-1-yl)methanone
CID 62076805
(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-methylpiperidin-1-yl)methanone
CID 62076034
(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 82012290
1H-indazol-3-yl-(3-propoxypiperidin-1-yl)methanone
CID 56820766
(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112623797
(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 107209805
(3,5-diaminophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 61168973
(3-propan-2-yl-1,2-oxazol-5-yl)-[(3S)-3-propoxypiperidin-1-yl]methanone
CID 95376983
(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 63603103
(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone
CID 107210661
5-[(3R)-3-propoxypiperidine-1-carbonyl]-1H-pyrazin-2-one
CID 99983565
N-ethyl-3-propoxypiperidine-1-carboxamide
CID 115595374

Frequently Asked Questions

What is the IUPAC name of (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-propoxypiperidin-1-yl)methanone?
The IUPAC name of (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-propoxypiperidin-1-yl)methanone (CID 62075422) is (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-propoxypiperidin-1-yl)methanone.
What is the SMILES notation for (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-propoxypiperidin-1-yl)methanone?
The canonical SMILES for (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-propoxypiperidin-1-yl)methanone is CCCOC1CCCN(C(=O)c2n[nH]c(C(C)C)c2N)C1.
What is the InChIKey of (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-propoxypiperidin-1-yl)methanone?
The InChIKey is OALVVQSYSKCBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-4-8-21-11-6-5-7-19(9-11)15(20)14-12(16)13(10(2)3)17-18-14/h10-11H,4-9,16H2,1-3H3,(H,17,18).
What are the key properties of (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-propoxypiperidin-1-yl)methanone?
(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-propoxypiperidin-1-yl)methanone has a molecular weight of 294.40 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-propoxypiperidin-1-yl)methanone is sourced from PubChem (CID 62075422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).