4-amino-N-[3-(diethylamino)propyl]-N-ethyl-5-methyl-1H-pyrazole-3-carboxamide

C14H27N5O — CID 102990915

IUPAC4-amino-N-[3-(diethylamino)propyl]-N-ethyl-5-methyl-1H-pyrazole-3-carboxamide
SMILESCCN(CC)CCCN(CC)C(=O)c1n[nH]c(C)c1N
InChIInChI=1S/C14H27N5O/c1-5-18(6-2)9-8-10-19(7-3)14(20)13-12(15)11(4)16-17-13/h5-10,15H2,1-4H3,(H,16,17)
InChIKeyPPRUEXVDXQYDEP-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.49
Rot. Bonds8

About 4-amino-N-[3-(diethylamino)propyl]-N-ethyl-5-methyl-1H-pyrazole-3-carboxamide

4-amino-N-[3-(diethylamino)propyl]-N-ethyl-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 102990915) has the molecular formula C14H27N5O and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-amino-N-[3-(diethylamino)propyl]-N-ethyl-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[3-(diethylamino)propyl]-N-ethyl-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID102990915
Molecular FormulaC14H27N5O
Molecular Weight281.40 g/mol
Exact Mass281.22
IUPAC Name4-amino-N-[3-(diethylamino)propyl]-N-ethyl-5-methyl-1H-pyrazole-3-carboxamide
SMILESCCN(CC)CCCN(CC)C(=O)c1n[nH]c(C)c1N
InChIInChI=1S/C14H27N5O/c1-5-18(6-2)9-8-10-19(7-3)14(20)13-12(15)11(4)16-17-13/h5-10,15H2,1-4H3,(H,16,17)
InChIKeyPPRUEXVDXQYDEP-UHFFFAOYSA-N
XLogP1.49
TPSA78.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

CID 135408749
CID 135408749
CID 275984
CID 275984
CID 279947
CID 279947
CID 279948
CID 279948
CID 279949
CID 279949
CID 282819
CID 282819
CID 282820
CID 282820
CID 3061960
CID 3061960
CID 3061962
CID 3061962
CID 3061965
CID 3061965
CID 4559411
CID 4559411
CID 53017422
CID 53017422

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(diethylamino)propyl]-N-ethyl-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-[3-(diethylamino)propyl]-N-ethyl-5-methyl-1H-pyrazole-3-carboxamide (CID 102990915) is 4-amino-N-[3-(diethylamino)propyl]-N-ethyl-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[3-(diethylamino)propyl]-N-ethyl-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[3-(diethylamino)propyl]-N-ethyl-5-methyl-1H-pyrazole-3-carboxamide is CCN(CC)CCCN(CC)C(=O)c1n[nH]c(C)c1N.
What is the InChIKey of 4-amino-N-[3-(diethylamino)propyl]-N-ethyl-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is PPRUEXVDXQYDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O/c1-5-18(6-2)9-8-10-19(7-3)14(20)13-12(15)11(4)16-17-13/h5-10,15H2,1-4H3,(H,16,17).
What are the key properties of 4-amino-N-[3-(diethylamino)propyl]-N-ethyl-5-methyl-1H-pyrazole-3-carboxamide?
4-amino-N-[3-(diethylamino)propyl]-N-ethyl-5-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 281.40 g/mol, XLogP of 1.49, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(diethylamino)propyl]-N-ethyl-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 102990915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).