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

C14H25N5O — CID 63603103

IUPAC(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
SMILESCCC1CN(C(=O)c2n[nH]c(C(C)C)c2N)CCN1C
InChIInChI=1S/C14H25N5O/c1-5-10-8-19(7-6-18(10)4)14(20)13-11(15)12(9(2)3)16-17-13/h9-10H,5-8,15H2,1-4H3,(H,16,17)
InChIKeyKXSCXCPEWUBVHR-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.28
Rot. Bonds3

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

(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-ethyl-4-methylpiperazin-1-yl)methanone (PubChem CID 63603103) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-ethyl-4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
PubChem CID63603103
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
SMILESCCC1CN(C(=O)c2n[nH]c(C(C)C)c2N)CCN1C
InChIInChI=1S/C14H25N5O/c1-5-10-8-19(7-6-18(10)4)14(20)13-11(15)12(9(2)3)16-17-13/h9-10H,5-8,15H2,1-4H3,(H,16,17)
InChIKeyKXSCXCPEWUBVHR-UHFFFAOYSA-N
XLogP1.28
TPSA78.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-ethyl-4-methylpiperazin-1-yl)methanone?
The IUPAC name of (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-ethyl-4-methylpiperazin-1-yl)methanone (CID 63603103) is (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-ethyl-4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-ethyl-4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-ethyl-4-methylpiperazin-1-yl)methanone is CCC1CN(C(=O)c2n[nH]c(C(C)C)c2N)CCN1C.
What is the InChIKey of (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-ethyl-4-methylpiperazin-1-yl)methanone?
The InChIKey is KXSCXCPEWUBVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-5-10-8-19(7-6-18(10)4)14(20)13-11(15)12(9(2)3)16-17-13/h9-10H,5-8,15H2,1-4H3,(H,16,17).
What are the key properties of (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-ethyl-4-methylpiperazin-1-yl)methanone?
(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-ethyl-4-methylpiperazin-1-yl)methanone has a molecular weight of 279.39 g/mol, XLogP of 1.28, 3 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-ethyl-4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 63603103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).