1-(3-aminopropyl)-N-[3-(dimethylamino)propyl]-N,5-dimethylpyrazole-4-carboxamide

C14H27N5O — CID 63695465

IUPAC1-(3-aminopropyl)-N-[3-(dimethylamino)propyl]-N,5-dimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)N(C)CCCN(C)C)cnn1CCCN
InChIInChI=1S/C14H27N5O/c1-12-13(11-16-19(12)10-5-7-15)14(20)18(4)9-6-8-17(2)3/h11H,5-10,15H2,1-4H3
InChIKeyALQQFCQZDCDPLK-UHFFFAOYSA-N
MW281.40 g/mol
LogP0.56
Rot. Bonds8

About 1-(3-aminopropyl)-N-[3-(dimethylamino)propyl]-N,5-dimethylpyrazole-4-carboxamide

1-(3-aminopropyl)-N-[3-(dimethylamino)propyl]-N,5-dimethylpyrazole-4-carboxamide (PubChem CID 63695465) has the molecular formula C14H27N5O and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-(3-aminopropyl)-N-[3-(dimethylamino)propyl]-N,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-aminopropyl)-N-[3-(dimethylamino)propyl]-N,5-dimethylpyrazole-4-carboxamide
PubChem CID63695465
Molecular FormulaC14H27N5O
Molecular Weight281.40 g/mol
Exact Mass281.22
IUPAC Name1-(3-aminopropyl)-N-[3-(dimethylamino)propyl]-N,5-dimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)N(C)CCCN(C)C)cnn1CCCN
InChIInChI=1S/C14H27N5O/c1-12-13(11-16-19(12)10-5-7-15)14(20)18(4)9-6-8-17(2)3/h11H,5-10,15H2,1-4H3
InChIKeyALQQFCQZDCDPLK-UHFFFAOYSA-N
XLogP0.56
TPSA67.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-N-[3-(dimethylamino)propyl]-N,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of 1-(3-aminopropyl)-N-[3-(dimethylamino)propyl]-N,5-dimethylpyrazole-4-carboxamide (CID 63695465) is 1-(3-aminopropyl)-N-[3-(dimethylamino)propyl]-N,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(3-aminopropyl)-N-[3-(dimethylamino)propyl]-N,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for 1-(3-aminopropyl)-N-[3-(dimethylamino)propyl]-N,5-dimethylpyrazole-4-carboxamide is Cc1c(C(=O)N(C)CCCN(C)C)cnn1CCCN.
What is the InChIKey of 1-(3-aminopropyl)-N-[3-(dimethylamino)propyl]-N,5-dimethylpyrazole-4-carboxamide?
The InChIKey is ALQQFCQZDCDPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O/c1-12-13(11-16-19(12)10-5-7-15)14(20)18(4)9-6-8-17(2)3/h11H,5-10,15H2,1-4H3.
What are the key properties of 1-(3-aminopropyl)-N-[3-(dimethylamino)propyl]-N,5-dimethylpyrazole-4-carboxamide?
1-(3-aminopropyl)-N-[3-(dimethylamino)propyl]-N,5-dimethylpyrazole-4-carboxamide has a molecular weight of 281.40 g/mol, XLogP of 0.56, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-N-[3-(dimethylamino)propyl]-N,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 63695465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).