2-[bis[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]amino]acetic acid

C14H21N5O2 — CID 91119931

IUPAC2-[bis[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]amino]acetic acid
SMILESCc1n[nH]c(C)c1CN(CC(=O)O)Cc1c(C)n[nH]c1C
InChIInChI=1S/C14H21N5O2/c1-8-12(9(2)16-15-8)5-19(7-14(20)21)6-13-10(3)17-18-11(13)4/h5-7H2,1-4H3,(H,15,16)(H,17,18)(H,20,21)
InChIKeyNWIRRYAZLPOBCM-UHFFFAOYSA-N
MW291.36 g/mol
LogP1.45
Rot. Bonds6

About 2-[bis[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]amino]acetic acid

2-[bis[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]amino]acetic acid (PubChem CID 91119931) has the molecular formula C14H21N5O2 and a molecular weight of 291.36 g/mol. Its IUPAC name is 2-[bis[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[bis[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]amino]acetic acid
PubChem CID91119931
Molecular FormulaC14H21N5O2
Molecular Weight291.36 g/mol
Exact Mass291.17
IUPAC Name2-[bis[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]amino]acetic acid
SMILESCc1n[nH]c(C)c1CN(CC(=O)O)Cc1c(C)n[nH]c1C
InChIInChI=1S/C14H21N5O2/c1-8-12(9(2)16-15-8)5-19(7-14(20)21)6-13-10(3)17-18-11(13)4/h5-7H2,1-4H3,(H,15,16)(H,17,18)(H,20,21)
InChIKeyNWIRRYAZLPOBCM-UHFFFAOYSA-N
XLogP1.45
TPSA97.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[bis[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]amino]acetic acid?
The IUPAC name of 2-[bis[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]amino]acetic acid (CID 91119931) is 2-[bis[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[bis[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]amino]acetic acid?
The canonical SMILES for 2-[bis[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]amino]acetic acid is Cc1n[nH]c(C)c1CN(CC(=O)O)Cc1c(C)n[nH]c1C.
What is the InChIKey of 2-[bis[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]amino]acetic acid?
The InChIKey is NWIRRYAZLPOBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-8-12(9(2)16-15-8)5-19(7-14(20)21)6-13-10(3)17-18-11(13)4/h5-7H2,1-4H3,(H,15,16)(H,17,18)(H,20,21).
What are the key properties of 2-[bis[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]amino]acetic acid?
2-[bis[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]amino]acetic acid has a molecular weight of 291.36 g/mol, XLogP of 1.45, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]amino]acetic acid is sourced from PubChem (CID 91119931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).