N,N,1,3-tetramethyl-4-[[[(2R)-3-methyl-2-morpholin-4-ylbutyl]amino]methyl]pyrazol-5-amine

C17H33N5O — CID 94821631

IUPACN,N,1,3-tetramethyl-4-[[[(2R)-3-methyl-2-morpholin-4-ylbutyl]amino]methyl]pyrazol-5-amine
SMILESCc1nn(C)c(N(C)C)c1CNC[C@@H](C(C)C)N1CCOCC1
InChIInChI=1S/C17H33N5O/c1-13(2)16(22-7-9-23-10-8-22)12-18-11-15-14(3)19-21(6)17(15)20(4)5/h13,16,18H,7-12H2,1-6H3/t16-/m0/s1
InChIKeyICMFMQFHMIEVCO-INIZCTEOSA-N
MW323.49 g/mol
LogP1.24
Rot. Bonds7

About N,N,1,3-tetramethyl-4-[[[(2R)-3-methyl-2-morpholin-4-ylbutyl]amino]methyl]pyrazol-5-amine

N,N,1,3-tetramethyl-4-[[[(2R)-3-methyl-2-morpholin-4-ylbutyl]amino]methyl]pyrazol-5-amine (PubChem CID 94821631) has the molecular formula C17H33N5O and a molecular weight of 323.49 g/mol. Its IUPAC name is N,N,1,3-tetramethyl-4-[[[(2R)-3-methyl-2-morpholin-4-ylbutyl]amino]methyl]pyrazol-5-amine.

Molecular Properties

Compound NameN,N,1,3-tetramethyl-4-[[[(2R)-3-methyl-2-morpholin-4-ylbutyl]amino]methyl]pyrazol-5-amine
PubChem CID94821631
Molecular FormulaC17H33N5O
Molecular Weight323.49 g/mol
Exact Mass323.27
IUPAC NameN,N,1,3-tetramethyl-4-[[[(2R)-3-methyl-2-morpholin-4-ylbutyl]amino]methyl]pyrazol-5-amine
SMILESCc1nn(C)c(N(C)C)c1CNC[C@@H](C(C)C)N1CCOCC1
InChIInChI=1S/C17H33N5O/c1-13(2)16(22-7-9-23-10-8-22)12-18-11-15-14(3)19-21(6)17(15)20(4)5/h13,16,18H,7-12H2,1-6H3/t16-/m0/s1
InChIKeyICMFMQFHMIEVCO-INIZCTEOSA-N
XLogP1.24
TPSA45.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.49
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N,1,3-tetramethyl-4-[[[(2R)-3-methyl-2-morpholin-4-ylbutyl]amino]methyl]pyrazol-5-amine?
The IUPAC name of N,N,1,3-tetramethyl-4-[[[(2R)-3-methyl-2-morpholin-4-ylbutyl]amino]methyl]pyrazol-5-amine (CID 94821631) is N,N,1,3-tetramethyl-4-[[[(2R)-3-methyl-2-morpholin-4-ylbutyl]amino]methyl]pyrazol-5-amine.
What is the SMILES notation for N,N,1,3-tetramethyl-4-[[[(2R)-3-methyl-2-morpholin-4-ylbutyl]amino]methyl]pyrazol-5-amine?
The canonical SMILES for N,N,1,3-tetramethyl-4-[[[(2R)-3-methyl-2-morpholin-4-ylbutyl]amino]methyl]pyrazol-5-amine is Cc1nn(C)c(N(C)C)c1CNC[C@@H](C(C)C)N1CCOCC1.
What is the InChIKey of N,N,1,3-tetramethyl-4-[[[(2R)-3-methyl-2-morpholin-4-ylbutyl]amino]methyl]pyrazol-5-amine?
The InChIKey is ICMFMQFHMIEVCO-INIZCTEOSA-N. The full InChI is InChI=1S/C17H33N5O/c1-13(2)16(22-7-9-23-10-8-22)12-18-11-15-14(3)19-21(6)17(15)20(4)5/h13,16,18H,7-12H2,1-6H3/t16-/m0/s1.
What are the key properties of N,N,1,3-tetramethyl-4-[[[(2R)-3-methyl-2-morpholin-4-ylbutyl]amino]methyl]pyrazol-5-amine?
N,N,1,3-tetramethyl-4-[[[(2R)-3-methyl-2-morpholin-4-ylbutyl]amino]methyl]pyrazol-5-amine has a molecular weight of 323.49 g/mol, XLogP of 1.24, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,1,3-tetramethyl-4-[[[(2R)-3-methyl-2-morpholin-4-ylbutyl]amino]methyl]pyrazol-5-amine is sourced from PubChem (CID 94821631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).